I: pbuilder: network access will be disabled during build I: Current time: Fri Jun 13 11:45:44 +14 2025 I: pbuilder-time-stamp: 1749764744 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/experimental-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [rdkit_202309.3-4~exp1.dsc] I: copying [./rdkit_202309.3.orig.tar.xz] I: copying [./rdkit_202309.3-4~exp1.debian.tar.xz] I: Extracting source gpgv: Signature made Fri Apr 26 08:07:23 2024 gpgv: using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287 gpgv: issuer "merkys@debian.org" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./rdkit_202309.3-4~exp1.dsc: no acceptable signature found dpkg-source: info: extracting rdkit in rdkit-202309.3 dpkg-source: info: unpacking rdkit_202309.3.orig.tar.xz dpkg-source: info: unpacking rdkit_202309.3-4~exp1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying NoDownloads.patch dpkg-source: info: applying postgres_Makefile_fixes.patch dpkg-source: info: applying sphinx_imgconverter.patch dpkg-source: info: applying postgres_alternative_test_outputs.patch dpkg-source: info: applying sphinx_compile_fixes.patch dpkg-source: info: applying extra_float_digits dpkg-source: info: applying pg16 I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/2570913/tmp/hooks/D01_modify_environment starting debug: Running on codethink03-arm64. 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 Jun 12 21:45 /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/2570913/tmp/hooks/D01_modify_environment finished I: user script /srv/workspace/pbuilder/2570913/tmp/hooks/D02_print_environment starting I: set 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]="aarch64-unknown-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=arm64 DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DIRSTACK=() DISTRIBUTION=experimental EUID=0 FUNCNAME=([0]="Echo" [1]="main") GROUPS=() HOME=/root HOSTNAME=i-capture-the-hostname HOSTTYPE=aarch64 HOST_ARCH=arm64 IFS=' ' INVOCATION_ID=756e19cb562642d58ead189c4a6353e8 LANG=C LANGUAGE=nl_BE:nl LC_ALL=C MACHTYPE=aarch64-unknown-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=2570913 PS4='+ ' 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.ShPTGvri/pbuilderrc_JJ2d --distribution experimental --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/experimental-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.ShPTGvri/b2 --logfile b2/build.log rdkit_202309.3-4~exp1.dsc' SUDO_GID=109 SUDO_UID=104 SUDO_USER=jenkins TERM=unknown TZ=/usr/share/zoneinfo/Etc/GMT-14 UID=0 USER=root _='I: set' http_proxy=http://192.168.101.4:3128 I: uname -a Linux i-capture-the-hostname 6.1.0-21-cloud-arm64 #1 SMP Debian 6.1.90-1 (2024-05-03) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Jun 7 13:58 /bin -> usr/bin I: user script /srv/workspace/pbuilder/2570913/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: bison, catch2, cmake, debhelper-compat (= 13), dh-python, doxygen, flex, imagemagick, latexmk, libboost-dev, libboost-iostreams-dev, libboost-python-dev, libboost-regex-dev, libboost-system-dev, libboost-thread-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libfreetype-dev, libmaeparser-dev, librsvg2-bin, libsqlite3-dev, pandoc, postgresql-server-dev-all, python3-dev, python3-myst-parser, python3-numpy, python3-pandas, python3-pil | python3-imaging, python3-recommonmark, python3-sphinx, python3-sqlalchemy, rapidjson-dev, tex-gyre, texlive-fonts-recommended, texlive-latex-base, texlive-latex-extra, texlive-latex-recommended dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19744 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on bison; however: Package bison is not installed. pbuilder-satisfydepends-dummy depends on catch2; however: Package catch2 is not installed. pbuilder-satisfydepends-dummy depends on cmake; however: Package cmake is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on dh-python; however: Package dh-python is not installed. pbuilder-satisfydepends-dummy depends on doxygen; however: Package doxygen is not installed. pbuilder-satisfydepends-dummy depends on flex; however: Package flex is not installed. pbuilder-satisfydepends-dummy depends on imagemagick; however: Package imagemagick is not installed. pbuilder-satisfydepends-dummy depends on latexmk; however: Package latexmk is not installed. pbuilder-satisfydepends-dummy depends on libboost-dev; however: Package libboost-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-iostreams-dev; however: Package libboost-iostreams-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-python-dev; however: Package libboost-python-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-regex-dev; however: Package libboost-regex-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-system-dev; however: Package libboost-system-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-thread-dev; however: Package libboost-thread-dev is not installed. pbuilder-satisfydepends-dummy depends on libcairo2-dev; however: Package libcairo2-dev is not installed. pbuilder-satisfydepends-dummy depends on libcoordgen-dev; however: Package libcoordgen-dev is not installed. pbuilder-satisfydepends-dummy depends on libeigen3-dev; however: Package libeigen3-dev is not installed. pbuilder-satisfydepends-dummy depends on libfreetype-dev; however: Package libfreetype-dev is not installed. pbuilder-satisfydepends-dummy depends on libmaeparser-dev; however: Package libmaeparser-dev is not installed. pbuilder-satisfydepends-dummy depends on librsvg2-bin; however: Package librsvg2-bin is not installed. pbuilder-satisfydepends-dummy depends on libsqlite3-dev; however: Package libsqlite3-dev is not installed. pbuilder-satisfydepends-dummy depends on pandoc; however: Package pandoc is not installed. pbuilder-satisfydepends-dummy depends on postgresql-server-dev-all; however: Package postgresql-server-dev-all is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-myst-parser; however: Package python3-myst-parser is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-pandas; however: Package python3-pandas is not installed. pbuilder-satisfydepends-dummy depends on python3-pil | python3-imaging; however: Package python3-pil is not installed. Package python3-imaging is not installed. pbuilder-satisfydepends-dummy depends on python3-recommonmark; however: Package python3-recommonmark is not installed. pbuilder-satisfydepends-dummy depends on python3-sphinx; however: Package python3-sphinx is not installed. pbuilder-satisfydepends-dummy depends on python3-sqlalchemy; however: Package python3-sqlalchemy is not installed. pbuilder-satisfydepends-dummy depends on rapidjson-dev; however: Package rapidjson-dev is not installed. pbuilder-satisfydepends-dummy depends on tex-gyre; however: Package tex-gyre is not installed. pbuilder-satisfydepends-dummy depends on texlive-fonts-recommended; however: Package texlive-fonts-recommended is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-base; however: Package texlive-latex-base is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-extra; however: Package texlive-latex-extra is not installed. pbuilder-satisfydepends-dummy depends on texlive-latex-recommended; however: Package texlive-latex-recommended is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bison{a} bsdextrautils{a} ca-certificates{a} catch2{a} clang-16{a} cmake{a} cmake-data{a} debhelper{a} dh-autoreconf{a} dh-python{a} dh-strip-nondeterminism{a} docutils-common{a} doxygen{a} dwz{a} file{a} flex{a} fontconfig{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lmodern{a} gettext{a} gettext-base{a} groff-base{a} hicolor-icon-theme{a} icu-devtools{a} imagemagick{a} imagemagick-6-common{a} imagemagick-6.q16{a} intltool-debian{a} latexmk{a} libapache-pom-java{a} libarchive-zip-perl{a} libarchive13t64{a} libblas3{a} libblkid-dev{a} libboost-atomic1.83-dev{a} libboost-atomic1.83.0{a} libboost-chrono1.83-dev{a} libboost-chrono1.83.0t64{a} libboost-date-time1.83-dev{a} libboost-date-time1.83.0{a} libboost-dev{a} libboost-iostreams-dev{a} libboost-iostreams1.83-dev{a} libboost-python-dev{a} libboost-python1.83-dev{a} libboost-python1.83.0{a} libboost-regex-dev{a} libboost-regex1.83-dev{a} libboost-regex1.83.0{a} libboost-serialization1.83-dev{a} libboost-serialization1.83.0{a} libboost-system-dev{a} libboost-system1.83-dev{a} libboost-system1.83.0{a} libboost-thread-dev{a} libboost-thread1.83-dev{a} libboost-thread1.83.0{a} libboost1.83-dev{a} libbrotli-dev{a} libbrotli1{a} libbsd0{a} libbz2-dev{a} libcairo-gobject2{a} libcairo-script-interpreter2{a} libcairo2{a} libcairo2-dev{a} libclang-common-16-dev{a} libclang-cpp16t64{a} libclang1-16t64{a} libcom-err2{a} libcommons-logging-java{a} libcommons-parent-java{a} libcoordgen-dev{a} libcoordgen3{a} libcurl4t64{a} libdatrie1{a} libdav1d7{a} libde265-0{a} libdebhelper-perl{a} libdeflate0{a} libedit2{a} libeigen3-dev{a} libelf1t64{a} libexpat1{a} libexpat1-dev{a} libffi-dev{a} libfftw3-double3{a} libfile-stripnondeterminism-perl{a} libfmt9{a} libfontbox-java{a} libfontconfig-dev{a} libfontconfig1{a} libfontenc1{a} libfreetype-dev{a} libfreetype6{a} libfribidi0{a} libgc1{a} libgdk-pixbuf-2.0-0{a} libgdk-pixbuf2.0-common{a} libgfortran5{a} libgirepository-2.0-0{a} libglib2.0-0t64{a} libglib2.0-bin{a} libglib2.0-data{a} libglib2.0-dev{a} libglib2.0-dev-bin{a} libgraphite2-3{a} libgssapi-krb5-2{a} libharfbuzz0b{a} libheif-plugin-dav1d{a} libheif-plugin-libde265{a} libheif1{a} libice-dev{a} libice6{a} libicu-dev{a} libicu72{a} libimagequant0{a} libjbig0{a} libjpeg62-turbo{a} libjs-jquery{a} libjs-sphinxdoc{a} libjs-underscore{a} libjson-perl{a} libjsoncpp25{a} libk5crypto3{a} libkeyutils1{a} libkpathsea6{a} libkrb5-3{a} libkrb5support0{a} liblapack3{a} liblcms2-2{a} libldap-2.5-0{a} liblerc4{a} libllvm16t64{a} liblqr-1-0{a} libltdl7{a} liblua5.4-0{a} liblzo2-2{a} libmaeparser-dev{a} libmaeparser1{a} libmagic-mgc{a} libmagic1t64{a} libmagickcore-6.q16-7t64{a} libmagickwand-6.q16-7t64{a} libmount-dev{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libobjc-13-dev{a} libobjc4{a} libopenjp2-7{a} libpango-1.0-0{a} libpangocairo-1.0-0{a} libpangoft2-1.0-0{a} libpaper-utils{a} libpaper1{a} libpcre2-16-0{a} libpcre2-32-0{a} libpcre2-dev{a} libpcre2-posix3{a} libpdfbox-java{a} libpfm4{a} libpipeline1{a} libpixman-1-0{a} libpixman-1-dev{a} libpkgconf3{a} libpng-dev{a} libpng16-16t64{a} libpotrace0{a} libpq-dev{a} libpq5{a} libproc2-0{a} libpsl5t64{a} libptexenc1{a} libpthread-stubs0-dev{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.11-dev{a} libpython3.11-minimal{a} libpython3.11-stdlib{a} libpython3.11t64{a} libraqm0{a} libraw23t64{a} libreadline8t64{a} librhash0{a} librsvg2-2{a} librsvg2-bin{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libselinux1-dev{a} libsepol-dev{a} libsharpyuv0{a} libsm-dev{a} libsm6{a} libsqlite3-dev{a} libssh2-1t64{a} libssl-dev{a} libsub-override-perl{a} libsynctex2{a} libsysprof-capture-4-dev{a} libteckit0{a} libtexlua53-5{a} libthai-data{a} libthai0{a} libtiff6{a} libtool{a} libuchardet0{a} libuv1t64{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libx11-dev{a} libxau-dev{a} libxau6{a} libxaw7{a} libxcb-render0{a} libxcb-render0-dev{a} libxcb-shm0{a} libxcb-shm0-dev{a} libxcb1{a} libxcb1-dev{a} libxdmcp-dev{a} libxdmcp6{a} libxext-dev{a} libxext6{a} libxi6{a} libxml2{a} libxml2-dev{a} libxmu6{a} libxpm4{a} libxrender-dev{a} libxrender1{a} libxt6t64{a} libyaml-0-2{a} libz3-4{a} libz3-dev{a} libzzip-0-13t64{a} llvm-16{a} llvm-16-dev{a} llvm-16-linker-tools{a} llvm-16-runtime{a} llvm-16-tools{a} m4{a} man-db{a} media-types{a} netbase{a} openssl{a} pandoc{a} pandoc-data{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} postgresql-client-16{a} postgresql-client-common{a} postgresql-common{a} postgresql-server-dev-16{a} postgresql-server-dev-all{a} preview-latex-style{a} procps{a} python-babel-localedata{a} python3{a} python3-alabaster{a} python3-babel{a} python3-certifi{a} python3-chardet{a} python3-charset-normalizer{a} python3-commonmark{a} python3-dateutil{a} python3-dev{a} python3-distutils{a} python3-docutils{a} python3-greenlet{a} python3-idna{a} python3-imagesize{a} python3-jinja2{a} python3-lib2to3{a} python3-markdown-it{a} python3-markupsafe{a} python3-mdit-py-plugins{a} python3-mdurl{a} python3-minimal{a} python3-myst-parser{a} python3-numpy{a} python3-packaging{a} python3-pandas{a} python3-pandas-lib{a} python3-pil{a} python3-pkg-resources{a} python3-pygments{a} python3-recommonmark{a} python3-requests{a} python3-roman{a} python3-setuptools{a} python3-six{a} python3-snowballstemmer{a} python3-sphinx{a} python3-sqlalchemy{a} python3-tz{a} python3-urllib3{a} python3-yaml{a} python3.11{a} python3.11-dev{a} python3.11-minimal{a} rapidjson-dev{a} readline-common{a} sensible-utils{a} sgml-base{a} shared-mime-info{a} sphinx-common{a} ssl-cert{a} t1utils{a} tex-common{a} tex-gyre{a} texlive-base{a} texlive-binaries{a} texlive-fonts-recommended{a} texlive-latex-base{a} texlive-latex-extra{a} texlive-latex-recommended{a} texlive-pictures{a} tzdata{a} ucf{a} uuid-dev{a} x11-common{a} x11proto-core-dev{a} x11proto-dev{a} xdg-utils{a} xfonts-encodings{a} xfonts-utils{a} xml-core{a} xorg-sgml-doctools{a} xtrans-dev{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: apvlv atril binfmt-support bzip2-doc curl default-jre dvisvgm e2fsprogs evince fonts-texgyre fonts-texgyre-math fonts-urw-base35 ghostscript gv javascript-common krb5-locales libarchive-cpio-perl libclang-rt-16-dev libfile-mimeinfo-perl libfl-dev libgdk-pixbuf2.0-bin libgpm2 libheif-plugin-aomenc libheif-plugin-x265 libjson-xs-perl libldap-common libltdl-dev libmagickcore-6.q16-7-extra libmail-sendmail-perl libnet-dbus-perl libpng-tools librsvg2-common libsasl2-modules libspreadsheet-parseexcel-perl libx11-protocol-perl lmodern logrotate lynx mupdf netpbm okular psmisc publicsuffix python3-bottleneck python3-bs4 python3-html5lib python3-lxml python3-matplotlib python3-numexpr python3-odf python3-olefile python3-openpyxl python3-scipy python3-sqlalchemy-ext python3-tables qpdfview qpdfview-ps-plugin ruby systemd texlive-plain-generic tipa tk viewpdf.app wget x11-utils x11-xserver-utils xdg-user-dirs xpdf zathura-pdf-poppler zathura-ps 0 packages upgraded, 342 newly installed, 0 to remove and 0 not upgraded. Need to get 378 MB of archives. After unpacking 2076 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main arm64 m4 arm64 1.4.19-4 [277 kB] Get: 2 http://deb.debian.org/debian unstable/main arm64 flex arm64 2.6.4-8.2+b2 [413 kB] Get: 3 http://deb.debian.org/debian unstable/main arm64 libfftw3-double3 arm64 3.3.10-1+b2 [329 kB] Get: 4 http://deb.debian.org/debian unstable/main arm64 libexpat1 arm64 2.6.2-1 [88.7 kB] Get: 5 http://deb.debian.org/debian unstable/main arm64 libbrotli1 arm64 1.1.0-2+b3 [295 kB] Get: 6 http://deb.debian.org/debian unstable/main arm64 libpng16-16t64 arm64 1.6.43-5 [272 kB] Get: 7 http://deb.debian.org/debian unstable/main arm64 libfreetype6 arm64 2.13.2+dfsg-1+b4 [408 kB] Get: 8 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 9 http://deb.debian.org/debian unstable/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 10 http://deb.debian.org/debian unstable/main arm64 fontconfig-config arm64 2.15.0-1.1 [317 kB] Get: 11 http://deb.debian.org/debian unstable/main arm64 libfontconfig1 arm64 2.15.0-1.1 [385 kB] Get: 12 http://deb.debian.org/debian unstable/main arm64 libsharpyuv0 arm64 1.4.0-0.1 [111 kB] Get: 13 http://deb.debian.org/debian unstable/main arm64 libdav1d7 arm64 1.4.1-1 [251 kB] Get: 14 http://deb.debian.org/debian unstable/main arm64 libheif-plugin-dav1d arm64 1.17.6-1+b2 [9888 B] Get: 15 http://deb.debian.org/debian unstable/main arm64 libde265-0 arm64 1.0.15-1+b1 [151 kB] Get: 16 http://deb.debian.org/debian unstable/main arm64 libheif-plugin-libde265 arm64 1.17.6-1+b2 [13.0 kB] Get: 17 http://deb.debian.org/debian unstable/main arm64 libheif1 arm64 1.17.6-1+b2 [247 kB] Get: 18 http://deb.debian.org/debian unstable/main arm64 libjbig0 arm64 2.1-6.1+b1 [30.4 kB] Get: 19 http://deb.debian.org/debian unstable/main arm64 libjpeg62-turbo arm64 1:2.1.5-3 [172 kB] Get: 20 http://deb.debian.org/debian unstable/main arm64 liblcms2-2 arm64 2.14-2+b1 [144 kB] Get: 21 http://deb.debian.org/debian unstable/main arm64 libglib2.0-0t64 arm64 2.80.1-1 [1393 kB] Get: 22 http://deb.debian.org/debian unstable/main arm64 liblqr-1-0 arm64 0.4.2-2.1+b1 [26.7 kB] Get: 23 http://deb.debian.org/debian unstable/main arm64 libltdl7 arm64 2.4.7-7+b1 [393 kB] Get: 24 http://deb.debian.org/debian unstable/main arm64 libopenjp2-7 arm64 2.5.0-2+b3 [177 kB] Get: 25 http://deb.debian.org/debian unstable/main arm64 libraw23t64 arm64 0.21.2-2.1 [366 kB] Get: 26 http://deb.debian.org/debian unstable/main arm64 libdeflate0 arm64 1.20-1 [41.5 kB] Get: 27 http://deb.debian.org/debian unstable/main arm64 liblerc4 arm64 4.0.0+ds-4+b1 [142 kB] Get: 28 http://deb.debian.org/debian unstable/main arm64 libwebp7 arm64 1.4.0-0.1 [267 kB] Get: 29 http://deb.debian.org/debian unstable/main arm64 libtiff6 arm64 4.5.1+git230720-4 [307 kB] Get: 30 http://deb.debian.org/debian unstable/main arm64 libwebpdemux2 arm64 1.4.0-0.1 [110 kB] Get: 31 http://deb.debian.org/debian unstable/main arm64 libwebpmux3 arm64 1.4.0-0.1 [122 kB] Get: 32 http://deb.debian.org/debian unstable/main arm64 libxau6 arm64 1:1.0.9-1+b1 [18.1 kB] Get: 33 http://deb.debian.org/debian unstable/main arm64 libbsd0 arm64 0.12.2-1 [129 kB] Get: 34 http://deb.debian.org/debian unstable/main arm64 libxdmcp6 arm64 1:1.1.2-3+b1 [24.3 kB] Get: 35 http://deb.debian.org/debian unstable/main arm64 libxcb1 arm64 1.17.0-1 [143 kB] Get: 36 http://deb.debian.org/debian unstable/main arm64 libx11-data all 2:1.8.7-1 [328 kB] Get: 37 http://deb.debian.org/debian unstable/main arm64 libx11-6 arm64 2:1.8.7-1+b1 [775 kB] Get: 38 http://deb.debian.org/debian unstable/main arm64 libxext6 arm64 2:1.3.4-1+b1 [51.7 kB] Get: 39 http://deb.debian.org/debian unstable/main arm64 libicu72 arm64 72.1-4+b1 [9224 kB] Get: 40 http://deb.debian.org/debian unstable/main arm64 libxml2 arm64 2.9.14+dfsg-1.3+b3 [624 kB] Get: 41 http://deb.debian.org/debian unstable/main arm64 imagemagick-6-common all 8:6.9.12.98+dfsg1-5.2 [67.1 kB] Get: 42 http://deb.debian.org/debian unstable/main arm64 libmagickcore-6.q16-7t64 arm64 8:6.9.12.98+dfsg1-5.2 [1505 kB] Get: 43 http://deb.debian.org/debian unstable/main arm64 libmagickwand-6.q16-7t64 arm64 8:6.9.12.98+dfsg1-5.2 [245 kB] Get: 44 http://deb.debian.org/debian unstable/main arm64 libjson-perl all 4.10000-1 [87.5 kB] Get: 45 http://deb.debian.org/debian unstable/main arm64 netbase all 6.4 [12.8 kB] Get: 46 http://deb.debian.org/debian unstable/main arm64 postgresql-client-common all 260 [35.9 kB] Get: 47 http://deb.debian.org/debian unstable/main arm64 openssl arm64 3.2.1-3 [1324 kB] Get: 48 http://deb.debian.org/debian unstable/main arm64 ssl-cert all 1.1.2 [21.1 kB] Get: 49 http://deb.debian.org/debian unstable/main arm64 sensible-utils all 0.0.22 [22.4 kB] Get: 50 http://deb.debian.org/debian unstable/main arm64 ucf all 3.0043+nmu1 [55.2 kB] Get: 51 http://deb.debian.org/debian unstable/main arm64 postgresql-common all 260 [169 kB] Get: 52 http://deb.debian.org/debian unstable/main arm64 libpython3.11-minimal arm64 3.11.9-1 [813 kB] Get: 53 http://deb.debian.org/debian unstable/main arm64 python3.11-minimal arm64 3.11.9-1 [1767 kB] Get: 54 http://deb.debian.org/debian unstable/main arm64 python3-minimal arm64 3.11.8-1 [26.3 kB] Get: 55 http://deb.debian.org/debian unstable/main arm64 media-types all 10.1.0 [26.9 kB] Get: 56 http://deb.debian.org/debian unstable/main arm64 tzdata all 2024a-4 [255 kB] Get: 57 http://deb.debian.org/debian unstable/main arm64 readline-common all 8.2-4 [69.3 kB] Get: 58 http://deb.debian.org/debian unstable/main arm64 libreadline8t64 arm64 8.2-4 [157 kB] Get: 59 http://deb.debian.org/debian unstable/main arm64 libpython3.11-stdlib arm64 3.11.9-1 [1775 kB] Get: 60 http://deb.debian.org/debian unstable/main arm64 python3.11 arm64 3.11.9-1 [602 kB] Get: 61 http://deb.debian.org/debian unstable/main arm64 libpython3-stdlib arm64 3.11.8-1 [9332 B] Get: 62 http://deb.debian.org/debian unstable/main arm64 python3 arm64 3.11.8-1 [27.4 kB] Get: 63 http://deb.debian.org/debian unstable/main arm64 sgml-base all 1.31 [15.4 kB] Get: 64 http://deb.debian.org/debian unstable/main arm64 libproc2-0 arm64 2:4.0.4-4 [61.7 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 procps arm64 2:4.0.4-4 [869 kB] Get: 66 http://deb.debian.org/debian unstable/main arm64 ca-certificates all 20240203 [158 kB] Get: 67 http://deb.debian.org/debian unstable/main arm64 libmagic-mgc arm64 1:5.45-3 [314 kB] Get: 68 http://deb.debian.org/debian unstable/main arm64 libmagic1t64 arm64 1:5.45-3 [100 kB] Get: 69 http://deb.debian.org/debian unstable/main arm64 file arm64 1:5.45-3 [43.0 kB] Get: 70 http://deb.debian.org/debian unstable/main arm64 gettext-base arm64 0.21-14+b1 [160 kB] Get: 71 http://deb.debian.org/debian unstable/main arm64 libuchardet0 arm64 0.0.8-1+b1 [69.0 kB] Get: 72 http://deb.debian.org/debian unstable/main arm64 groff-base arm64 1.23.0-4 [1130 kB] Get: 73 http://deb.debian.org/debian unstable/main arm64 bsdextrautils arm64 2.40-8 [93.0 kB] Get: 74 http://deb.debian.org/debian unstable/main arm64 libpipeline1 arm64 1.5.7-2 [36.5 kB] Get: 75 http://deb.debian.org/debian unstable/main arm64 man-db arm64 2.12.1-1 [1394 kB] Get: 76 http://deb.debian.org/debian unstable/main arm64 autoconf all 2.71-3 [332 kB] Get: 77 http://deb.debian.org/debian unstable/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 78 http://deb.debian.org/debian unstable/main arm64 automake all 1:1.16.5-1.3 [823 kB] Get: 79 http://deb.debian.org/debian unstable/main arm64 autopoint all 0.21-14 [496 kB] Get: 80 http://deb.debian.org/debian unstable/main arm64 bison arm64 2:3.8.2+dfsg-1+b1 [1152 kB] Get: 81 http://deb.debian.org/debian unstable/main arm64 catch2 arm64 3.4.0-1 [551 kB] Get: 82 http://deb.debian.org/debian unstable/main arm64 libedit2 arm64 3.1-20230828-1+b1 [89.1 kB] Get: 83 http://deb.debian.org/debian unstable/main arm64 libz3-4 arm64 4.8.12-3.1+b2 [6508 kB] Get: 84 http://deb.debian.org/debian unstable/main arm64 libllvm16t64 arm64 1:16.0.6-27 [20.7 MB] Get: 85 http://deb.debian.org/debian unstable/main arm64 libclang-cpp16t64 arm64 1:16.0.6-27 [10.5 MB] Get: 86 http://deb.debian.org/debian unstable/main arm64 libgc1 arm64 1:8.2.6-1 [239 kB] Get: 87 http://deb.debian.org/debian unstable/main arm64 libobjc4 arm64 14-20240429-1 [38.9 kB] Get: 88 http://deb.debian.org/debian unstable/main arm64 libobjc-13-dev arm64 13.2.0-24 [165 kB] Get: 89 http://deb.debian.org/debian unstable/main arm64 libclang-common-16-dev arm64 1:16.0.6-27 [656 kB] Get: 90 http://deb.debian.org/debian unstable/main arm64 llvm-16-linker-tools arm64 1:16.0.6-27 [1081 kB] Get: 91 http://deb.debian.org/debian unstable/main arm64 libclang1-16t64 arm64 1:16.0.6-27 [5932 kB] Get: 92 http://deb.debian.org/debian unstable/main arm64 clang-16 arm64 1:16.0.6-27 [107 kB] Get: 93 http://deb.debian.org/debian unstable/main arm64 libarchive13t64 arm64 3.7.2-2 [321 kB] Get: 94 http://deb.debian.org/debian unstable/main arm64 libkrb5support0 arm64 1.20.1-6+b1 [33.0 kB] Get: 95 http://deb.debian.org/debian unstable/main arm64 libcom-err2 arm64 1.47.1~rc2-1 [22.5 kB] Get: 96 http://deb.debian.org/debian unstable/main arm64 libk5crypto3 arm64 1.20.1-6+b1 [80.5 kB] Get: 97 http://deb.debian.org/debian unstable/main arm64 libkeyutils1 arm64 1.6.3-3 [9112 B] Get: 98 http://deb.debian.org/debian unstable/main arm64 libkrb5-3 arm64 1.20.1-6+b1 [315 kB] Get: 99 http://deb.debian.org/debian unstable/main arm64 libgssapi-krb5-2 arm64 1.20.1-6+b1 [124 kB] Get: 100 http://deb.debian.org/debian unstable/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-6 [20.1 kB] Get: 101 http://deb.debian.org/debian unstable/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-6 [55.3 kB] Get: 102 http://deb.debian.org/debian unstable/main arm64 libldap-2.5-0 arm64 2.5.17+dfsg-1 [173 kB] Get: 103 http://deb.debian.org/debian unstable/main arm64 libnghttp2-14 arm64 1.61.0-1+b1 [71.0 kB] Get: 104 http://deb.debian.org/debian unstable/main arm64 libpsl5t64 arm64 0.21.2-1.1 [56.8 kB] Get: 105 http://deb.debian.org/debian unstable/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b4 [56.7 kB] Get: 106 http://deb.debian.org/debian unstable/main arm64 libssh2-1t64 arm64 1.11.0-4.1+b2 [207 kB] Get: 107 http://deb.debian.org/debian unstable/main arm64 libcurl4t64 arm64 8.7.1-5 [412 kB] Get: 108 http://deb.debian.org/debian unstable/main arm64 libjsoncpp25 arm64 1.9.5-6+b2 [73.2 kB] Get: 109 http://deb.debian.org/debian unstable/main arm64 librhash0 arm64 1.4.3-3+b1 [127 kB] Get: 110 http://deb.debian.org/debian unstable/main arm64 libuv1t64 arm64 1.48.0-1.1 [142 kB] Get: 111 http://deb.debian.org/debian unstable/main arm64 cmake-data all 3.29.2-2 [2167 kB] Get: 112 http://deb.debian.org/debian unstable/main arm64 cmake arm64 3.29.2-2 [9059 kB] Get: 113 http://deb.debian.org/debian unstable/main arm64 libdebhelper-perl all 13.15.3 [88.0 kB] Get: 114 http://deb.debian.org/debian unstable/main arm64 libtool all 2.4.7-7 [517 kB] Get: 115 http://deb.debian.org/debian unstable/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 116 http://deb.debian.org/debian unstable/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 117 http://deb.debian.org/debian unstable/main arm64 libsub-override-perl all 0.10-1 [10.6 kB] Get: 118 http://deb.debian.org/debian unstable/main arm64 libfile-stripnondeterminism-perl all 1.13.1-1 [19.4 kB] Get: 119 http://deb.debian.org/debian unstable/main arm64 dh-strip-nondeterminism all 1.13.1-1 [8620 B] Get: 120 http://deb.debian.org/debian unstable/main arm64 libelf1t64 arm64 0.191-1+b1 [187 kB] Get: 121 http://deb.debian.org/debian unstable/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 122 http://deb.debian.org/debian unstable/main arm64 gettext arm64 0.21-14+b1 [1249 kB] Get: 123 http://deb.debian.org/debian unstable/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 124 http://deb.debian.org/debian unstable/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 125 http://deb.debian.org/debian unstable/main arm64 debhelper all 13.15.3 [901 kB] Get: 126 http://deb.debian.org/debian unstable/main arm64 python3-pkg-resources all 68.1.2-2 [241 kB] Get: 127 http://deb.debian.org/debian unstable/main arm64 python3-lib2to3 all 3.12.3-1 [77.6 kB] Get: 128 http://deb.debian.org/debian unstable/main arm64 python3-distutils all 3.12.3-1 [131 kB] Get: 129 http://deb.debian.org/debian unstable/main arm64 python3-setuptools all 68.1.2-2 [468 kB] Get: 130 http://deb.debian.org/debian unstable/main arm64 dh-python all 6.20240422 [107 kB] Get: 131 http://deb.debian.org/debian unstable/main arm64 xml-core all 0.19 [20.1 kB] Get: 132 http://deb.debian.org/debian unstable/main arm64 docutils-common all 0.20.1+dfsg-3 [128 kB] Get: 133 http://deb.debian.org/debian unstable/main arm64 libfmt9 arm64 9.1.0+ds1-2 [107 kB] Get: 134 http://deb.debian.org/debian unstable/main arm64 doxygen arm64 1.9.8+ds-2+b1 [4484 kB] Get: 135 http://deb.debian.org/debian unstable/main arm64 fontconfig arm64 2.15.0-1.1 [462 kB] Get: 136 http://deb.debian.org/debian unstable/main arm64 fonts-lmodern all 2.005-1 [4540 kB] Get: 137 http://deb.debian.org/debian unstable/main arm64 hicolor-icon-theme all 0.17-2 [11.4 kB] Get: 138 http://deb.debian.org/debian unstable/main arm64 icu-devtools arm64 72.1-4+b1 [194 kB] Get: 139 http://deb.debian.org/debian unstable/main arm64 imagemagick-6.q16 arm64 8:6.9.12.98+dfsg1-5.2 [290 kB] Get: 140 http://deb.debian.org/debian unstable/main arm64 imagemagick arm64 8:6.9.12.98+dfsg1-5.2 [19.4 kB] Get: 141 http://deb.debian.org/debian unstable/main arm64 tex-common all 6.18 [32.5 kB] Get: 142 http://deb.debian.org/debian unstable/main arm64 libpaper1 arm64 1.1.29+b1 [12.9 kB] Get: 143 http://deb.debian.org/debian unstable/main arm64 libpaper-utils arm64 1.1.29+b1 [9068 B] Get: 144 http://deb.debian.org/debian unstable/main arm64 libkpathsea6 arm64 2023.20230311.66589-9+b2 [151 kB] Get: 145 http://deb.debian.org/debian unstable/main arm64 libptexenc1 arm64 2023.20230311.66589-9+b2 [46.3 kB] Get: 146 http://deb.debian.org/debian unstable/main arm64 libsynctex2 arm64 2023.20230311.66589-9+b2 [59.8 kB] Get: 147 http://deb.debian.org/debian unstable/main arm64 libtexlua53-5 arm64 2023.20230311.66589-9+b2 [105 kB] Get: 148 http://deb.debian.org/debian unstable/main arm64 t1utils arm64 1.41-4 [59.8 kB] Get: 149 http://deb.debian.org/debian unstable/main arm64 libpixman-1-0 arm64 0.42.2-1+b1 [477 kB] Get: 150 http://deb.debian.org/debian unstable/main arm64 libxcb-render0 arm64 1.17.0-1 [114 kB] Get: 151 http://deb.debian.org/debian unstable/main arm64 libxcb-shm0 arm64 1.17.0-1 [105 kB] Get: 152 http://deb.debian.org/debian unstable/main arm64 libxrender1 arm64 1:0.9.10-1.1+b1 [27.0 kB] Get: 153 http://deb.debian.org/debian unstable/main arm64 libcairo2 arm64 1.18.0-3+b1 [478 kB] Get: 154 http://deb.debian.org/debian unstable/main arm64 libgraphite2-3 arm64 1.3.14-2 [69.2 kB] Get: 155 http://deb.debian.org/debian unstable/main arm64 libharfbuzz0b arm64 8.3.0-2+b1 [2178 kB] Get: 156 http://deb.debian.org/debian unstable/main arm64 libpotrace0 arm64 1.16-2+b1 [23.1 kB] Get: 157 http://deb.debian.org/debian unstable/main arm64 libteckit0 arm64 2.5.12+ds1-1 [300 kB] Get: 158 http://deb.debian.org/debian unstable/main arm64 x11-common all 1:7.7+23 [252 kB] Get: 159 http://deb.debian.org/debian unstable/main arm64 libice6 arm64 2:1.0.10-1+b1 [53.7 kB] Get: 160 http://deb.debian.org/debian unstable/main arm64 libsm6 arm64 2:1.2.3-1+b1 [32.7 kB] Get: 161 http://deb.debian.org/debian unstable/main arm64 libxt6t64 arm64 1:1.2.1-1.2 [172 kB] Get: 162 http://deb.debian.org/debian unstable/main arm64 libxmu6 arm64 2:1.1.3-3+b2 [55.5 kB] Get: 163 http://deb.debian.org/debian unstable/main arm64 libxpm4 arm64 1:3.5.17-1+b1 [52.9 kB] Get: 164 http://deb.debian.org/debian unstable/main arm64 libxaw7 arm64 2:1.0.14-1+b2 [182 kB] Get: 165 http://deb.debian.org/debian unstable/main arm64 libxi6 arm64 2:1.8.1-1 [77.5 kB] Get: 166 http://deb.debian.org/debian unstable/main arm64 libzzip-0-13t64 arm64 0.13.72+dfsg.1-1.2+b1 [56.7 kB] Get: 167 http://deb.debian.org/debian unstable/main arm64 texlive-binaries arm64 2023.20230311.66589-9+b2 [7353 kB] Get: 168 http://deb.debian.org/debian unstable/main arm64 xdg-utils all 1.1.3-4.1 [75.5 kB] Get: 169 http://deb.debian.org/debian unstable/main arm64 texlive-base all 2023.20240207-1 [22.0 MB] Get: 170 http://deb.debian.org/debian unstable/main arm64 texlive-latex-base all 2023.20240207-1 [1255 kB] Get: 171 http://deb.debian.org/debian unstable/main arm64 latexmk all 1:4.85-1 [501 kB] Get: 172 http://deb.debian.org/debian unstable/main arm64 libapache-pom-java all 29-2 [5276 B] Get: 173 http://deb.debian.org/debian unstable/main arm64 libblas3 arm64 3.12.0-3 [91.7 kB] Get: 174 http://deb.debian.org/debian unstable/main arm64 uuid-dev arm64 2.40-8 [44.4 kB] Get: 175 http://deb.debian.org/debian unstable/main arm64 libblkid-dev arm64 2.40-8 [204 kB] Get: 176 http://deb.debian.org/debian unstable/main arm64 libboost1.83-dev arm64 1.83.0-2.1+b1 [10.6 MB] Get: 177 http://deb.debian.org/debian unstable/main arm64 libboost-atomic1.83.0 arm64 1.83.0-2.1+b1 [233 kB] Get: 178 http://deb.debian.org/debian unstable/main arm64 libboost-atomic1.83-dev arm64 1.83.0-2.1+b1 [234 kB] Get: 179 http://deb.debian.org/debian unstable/main arm64 libboost-chrono1.83.0t64 arm64 1.83.0-2.1+b1 [239 kB] Get: 180 http://deb.debian.org/debian unstable/main arm64 libboost-chrono1.83-dev arm64 1.83.0-2.1+b1 [244 kB] Get: 181 http://deb.debian.org/debian unstable/main arm64 libboost-date-time1.83.0 arm64 1.83.0-2.1+b1 [230 kB] Get: 182 http://deb.debian.org/debian unstable/main arm64 libboost-serialization1.83.0 arm64 1.83.0-2.1+b1 [324 kB] Get: 183 http://deb.debian.org/debian unstable/main arm64 libboost-serialization1.83-dev arm64 1.83.0-2.1+b1 [372 kB] Get: 184 http://deb.debian.org/debian unstable/main arm64 libboost-date-time1.83-dev arm64 1.83.0-2.1+b1 [239 kB] Get: 185 http://deb.debian.org/debian unstable/main arm64 libboost-dev arm64 1.83.0.2+b2 [3828 B] Get: 186 http://deb.debian.org/debian unstable/main arm64 libboost-regex1.83.0 arm64 1.83.0-2.1+b1 [311 kB] Get: 187 http://deb.debian.org/debian unstable/main arm64 libicu-dev arm64 72.1-4+b1 [10.2 MB] Get: 188 http://deb.debian.org/debian unstable/main arm64 libboost-regex1.83-dev arm64 1.83.0-2.1+b1 [334 kB] Get: 189 http://deb.debian.org/debian unstable/main arm64 libboost-iostreams1.83-dev arm64 1.83.0-2.1+b1 [261 kB] Get: 190 http://deb.debian.org/debian unstable/main arm64 libboost-iostreams-dev arm64 1.83.0.2+b2 [3568 B] Get: 191 http://deb.debian.org/debian unstable/main arm64 libboost-python1.83.0 arm64 1.83.0-2.1+b1 [334 kB] Get: 192 http://deb.debian.org/debian unstable/main arm64 libpython3.11t64 arm64 3.11.9-1 [1814 kB] Get: 193 http://deb.debian.org/debian unstable/main arm64 libexpat1-dev arm64 2.6.2-1 [278 kB] Get: 194 http://deb.debian.org/debian unstable/main arm64 zlib1g-dev arm64 1:1.3.dfsg-3.1 [915 kB] Get: 195 http://deb.debian.org/debian unstable/main arm64 libpython3.11-dev arm64 3.11.9-1 [4358 kB] Get: 196 http://deb.debian.org/debian unstable/main arm64 libpython3-dev arm64 3.11.8-1 [9564 B] Get: 197 http://deb.debian.org/debian unstable/main arm64 python3.11-dev arm64 3.11.9-1 [501 kB] Get: 198 http://deb.debian.org/debian unstable/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 199 http://deb.debian.org/debian unstable/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 200 http://deb.debian.org/debian unstable/main arm64 libjs-sphinxdoc all 7.2.6-6 [150 kB] Get: 201 http://deb.debian.org/debian unstable/main arm64 python3-dev arm64 3.11.8-1 [26.1 kB] Get: 202 http://deb.debian.org/debian unstable/main arm64 libboost-python1.83-dev arm64 1.83.0-2.1+b1 [371 kB] Get: 203 http://deb.debian.org/debian unstable/main arm64 libboost-python-dev arm64 1.83.0.2+b2 [3880 B] Get: 204 http://deb.debian.org/debian unstable/main arm64 libboost-regex-dev arm64 1.83.0.2+b2 [3852 B] Get: 205 http://deb.debian.org/debian unstable/main arm64 libboost-system1.83.0 arm64 1.83.0-2.1+b1 [230 kB] Get: 206 http://deb.debian.org/debian unstable/main arm64 libboost-system1.83-dev arm64 1.83.0-2.1+b1 [231 kB] Get: 207 http://deb.debian.org/debian unstable/main arm64 libboost-system-dev arm64 1.83.0.2+b2 [3720 B] Get: 208 http://deb.debian.org/debian unstable/main arm64 libboost-thread1.83.0 arm64 1.83.0-2.1+b1 [265 kB] Get: 209 http://deb.debian.org/debian unstable/main arm64 libboost-thread1.83-dev arm64 1.83.0-2.1+b1 [277 kB] Get: 210 http://deb.debian.org/debian unstable/main arm64 libboost-thread-dev arm64 1.83.0.2+b2 [3616 B] Get: 211 http://deb.debian.org/debian unstable/main arm64 libbrotli-dev arm64 1.1.0-2+b3 [308 kB] Get: 212 http://deb.debian.org/debian unstable/main arm64 libbz2-dev arm64 1.0.8-5.1 [31.8 kB] Get: 213 http://deb.debian.org/debian unstable/main arm64 libcairo-gobject2 arm64 1.18.0-3+b1 [129 kB] Get: 214 http://deb.debian.org/debian unstable/main arm64 liblzo2-2 arm64 2.10-2+b1 [49.2 kB] Get: 215 http://deb.debian.org/debian unstable/main arm64 libcairo-script-interpreter2 arm64 1.18.0-3+b1 [57.2 kB] Get: 216 http://deb.debian.org/debian unstable/main arm64 libpng-dev arm64 1.6.43-5 [356 kB] Get: 217 http://deb.debian.org/debian unstable/main arm64 libfreetype-dev arm64 2.13.2+dfsg-1+b4 [585 kB] Get: 218 http://deb.debian.org/debian unstable/main arm64 libpkgconf3 arm64 1.8.1-1+b2 [35.3 kB] Get: 219 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-1+b2 [29.3 kB] Get: 220 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-1+b2 [26.2 kB] Get: 221 http://deb.debian.org/debian unstable/main arm64 libfontconfig-dev arm64 2.15.0-1.1 [410 kB] Get: 222 http://deb.debian.org/debian unstable/main arm64 libffi-dev arm64 3.4.6-1 [57.0 kB] Get: 223 http://deb.debian.org/debian unstable/main arm64 libglib2.0-data all 2.80.1-1 [1266 kB] Get: 224 http://deb.debian.org/debian unstable/main arm64 libglib2.0-bin arm64 2.80.1-1 [119 kB] Get: 225 http://deb.debian.org/debian unstable/main arm64 python3-packaging all 24.0-1 [45.5 kB] Get: 226 http://deb.debian.org/debian unstable/main arm64 libglib2.0-dev-bin arm64 2.80.1-1 [168 kB] Get: 227 http://deb.debian.org/debian unstable/main arm64 libsepol-dev arm64 3.5-2+b1 [335 kB] Get: 228 http://deb.debian.org/debian unstable/main arm64 libpcre2-16-0 arm64 10.42-4+b1 [217 kB] Get: 229 http://deb.debian.org/debian unstable/main arm64 libpcre2-32-0 arm64 10.42-4+b1 [207 kB] Get: 230 http://deb.debian.org/debian unstable/main arm64 libpcre2-posix3 arm64 10.42-4+b1 [55.8 kB] Get: 231 http://deb.debian.org/debian unstable/main arm64 libpcre2-dev arm64 10.42-4+b1 [669 kB] Get: 232 http://deb.debian.org/debian unstable/main arm64 libselinux1-dev arm64 3.5-2+b2 [161 kB] Get: 233 http://deb.debian.org/debian unstable/main arm64 libmount-dev arm64 2.40-8 [25.9 kB] Get: 234 http://deb.debian.org/debian unstable/main arm64 libsysprof-capture-4-dev arm64 46.0-1 [48.4 kB] Get: 235 http://deb.debian.org/debian unstable/main arm64 libgirepository-2.0-0 arm64 2.80.1-1 [126 kB] Get: 236 http://deb.debian.org/debian unstable/main arm64 libglib2.0-dev arm64 2.80.1-1 [1746 kB] Get: 237 http://deb.debian.org/debian unstable/main arm64 libpixman-1-dev arm64 0.42.2-1+b1 [499 kB] Get: 238 http://deb.debian.org/debian unstable/main arm64 xorg-sgml-doctools all 1:1.11-1.1 [22.1 kB] Get: 239 http://deb.debian.org/debian unstable/main arm64 x11proto-dev all 2024.1-1 [603 kB] Get: 240 http://deb.debian.org/debian unstable/main arm64 x11proto-core-dev all 2024.1-1 [3312 B] Get: 241 http://deb.debian.org/debian unstable/main arm64 libice-dev arm64 2:1.0.10-1+b1 [64.1 kB] Get: 242 http://deb.debian.org/debian unstable/main arm64 libsm-dev arm64 2:1.2.3-1+b1 [36.4 kB] Get: 243 http://deb.debian.org/debian unstable/main arm64 libxau-dev arm64 1:1.0.9-1+b1 [21.5 kB] Get: 244 http://deb.debian.org/debian unstable/main arm64 libxdmcp-dev arm64 1:1.1.2-3+b1 [40.6 kB] Get: 245 http://deb.debian.org/debian unstable/main arm64 xtrans-dev all 1.4.0-1 [98.7 kB] Get: 246 http://deb.debian.org/debian unstable/main arm64 libpthread-stubs0-dev arm64 0.4-1+b1 [5324 B] Get: 247 http://deb.debian.org/debian unstable/main arm64 libxcb1-dev arm64 1.17.0-1 [182 kB] Get: 248 http://deb.debian.org/debian unstable/main arm64 libx11-dev arm64 2:1.8.7-1+b1 [861 kB] Get: 249 http://deb.debian.org/debian unstable/main arm64 libxcb-render0-dev arm64 1.17.0-1 [118 kB] Get: 250 http://deb.debian.org/debian unstable/main arm64 libxcb-shm0-dev arm64 1.17.0-1 [108 kB] Get: 251 http://deb.debian.org/debian unstable/main arm64 libxext-dev arm64 2:1.3.4-1+b1 [107 kB] Get: 252 http://deb.debian.org/debian unstable/main arm64 libxrender-dev arm64 1:0.9.10-1.1+b1 [35.5 kB] Get: 253 http://deb.debian.org/debian unstable/main arm64 libcairo2-dev arm64 1.18.0-3+b1 [43.2 kB] Get: 254 http://deb.debian.org/debian unstable/main arm64 libcommons-parent-java all 56-1 [10.8 kB] Get: 255 http://deb.debian.org/debian unstable/main arm64 libcommons-logging-java all 1.3.0-1 [68.6 kB] Get: 256 http://deb.debian.org/debian unstable/main arm64 libcoordgen3 arm64 3.0.2-1+b1 [199 kB] Get: 257 http://deb.debian.org/debian unstable/main arm64 libcoordgen-dev arm64 3.0.2-1+b1 [46.9 kB] Get: 258 http://deb.debian.org/debian unstable/main arm64 libdatrie1 arm64 0.2.13-3 [37.2 kB] Get: 259 http://deb.debian.org/debian unstable/main arm64 libeigen3-dev all 3.4.0-4 [1041 kB] Get: 260 http://deb.debian.org/debian unstable/main arm64 libfontbox-java all 1:1.8.16-5 [211 kB] Get: 261 http://deb.debian.org/debian unstable/main arm64 libfontenc1 arm64 1:1.1.8-1 [22.2 kB] Get: 262 http://deb.debian.org/debian unstable/main arm64 libfribidi0 arm64 1.0.13-3+b1 [71.3 kB] Get: 263 http://deb.debian.org/debian unstable/main arm64 libgdk-pixbuf2.0-common all 2.42.10+dfsg-3 [307 kB] Get: 264 http://deb.debian.org/debian unstable/main arm64 shared-mime-info arm64 2.4-4 [755 kB] Get: 265 http://deb.debian.org/debian unstable/main arm64 libgdk-pixbuf-2.0-0 arm64 2.42.10+dfsg-3+b3 [130 kB] Get: 266 http://deb.debian.org/debian unstable/main arm64 libgfortran5 arm64 14-20240429-1 [361 kB] Get: 267 http://deb.debian.org/debian unstable/main arm64 libimagequant0 arm64 2.18.0-1+b1 [34.6 kB] Get: 268 http://deb.debian.org/debian unstable/main arm64 liblapack3 arm64 3.12.0-3 [1757 kB] Get: 269 http://deb.debian.org/debian unstable/main arm64 liblua5.4-0 arm64 5.4.6-3+b1 [135 kB] Get: 270 http://deb.debian.org/debian unstable/main arm64 libmaeparser1 arm64 1.3.1-1+b1 [84.7 kB] Get: 271 http://deb.debian.org/debian unstable/main arm64 libmaeparser-dev arm64 1.3.1-1+b1 [13.6 kB] Get: 272 http://deb.debian.org/debian unstable/main arm64 libncurses6 arm64 6.5-2 [95.7 kB] Get: 273 http://deb.debian.org/debian unstable/main arm64 libncurses-dev arm64 6.5-2 [337 kB] Get: 274 http://deb.debian.org/debian unstable/main arm64 libthai-data all 0.1.29-2 [168 kB] Get: 275 http://deb.debian.org/debian unstable/main arm64 libthai0 arm64 0.1.29-2 [48.0 kB] Get: 276 http://deb.debian.org/debian unstable/main arm64 libpango-1.0-0 arm64 1.52.2+ds-1 [206 kB] Get: 277 http://deb.debian.org/debian unstable/main arm64 libpangoft2-1.0-0 arm64 1.52.2+ds-1 [45.5 kB] Get: 278 http://deb.debian.org/debian unstable/main arm64 libpangocairo-1.0-0 arm64 1.52.2+ds-1 [33.0 kB] Get: 279 http://deb.debian.org/debian unstable/main arm64 libpdfbox-java all 1:1.8.16-5 [5527 kB] Get: 280 http://deb.debian.org/debian unstable/main arm64 libpfm4 arm64 4.13.0+git32-g0d4ed0e-1 [51.1 kB] Get: 281 http://deb.debian.org/debian unstable/main arm64 libpq5 arm64 16.3-1 [209 kB] Get: 282 http://deb.debian.org/debian unstable/main arm64 libssl-dev arm64 3.2.1-3 [3089 kB] Get: 283 http://deb.debian.org/debian unstable/main arm64 libpq-dev arm64 16.3-1 [140 kB] Get: 284 http://deb.debian.org/debian unstable/main arm64 libraqm0 arm64 0.10.1-1+b1 [13.7 kB] Get: 285 http://deb.debian.org/debian unstable/main arm64 librsvg2-2 arm64 2.58.0+dfsg-1 [1735 kB] Get: 286 http://deb.debian.org/debian unstable/main arm64 librsvg2-bin arm64 2.58.0+dfsg-1 [1864 kB] Get: 287 http://deb.debian.org/debian unstable/main arm64 libsqlite3-dev arm64 3.45.3-1 [1042 kB] Get: 288 http://deb.debian.org/debian unstable/main arm64 libxml2-dev arm64 2.9.14+dfsg-1.3+b3 [745 kB] Get: 289 http://deb.debian.org/debian unstable/main arm64 libyaml-0-2 arm64 0.2.5-1+b1 [49.0 kB] Get: 290 http://deb.debian.org/debian unstable/main arm64 libz3-dev arm64 4.8.12-3.1+b2 [90.8 kB] Get: 291 http://deb.debian.org/debian unstable/main arm64 llvm-16-runtime arm64 1:16.0.6-27 [475 kB] Get: 292 http://deb.debian.org/debian unstable/main arm64 llvm-16 arm64 1:16.0.6-27 [19.1 MB] Get: 293 http://deb.debian.org/debian unstable/main arm64 python3-pygments all 2.17.2+dfsg-1 [818 kB] Get: 294 http://deb.debian.org/debian unstable/main arm64 python3-yaml arm64 6.0.1-2 [153 kB] Get: 295 http://deb.debian.org/debian unstable/main arm64 llvm-16-tools arm64 1:16.0.6-27 [459 kB] Get: 296 http://deb.debian.org/debian unstable/main arm64 llvm-16-dev arm64 1:16.0.6-27 [34.6 MB] Get: 297 http://deb.debian.org/debian unstable/main arm64 pandoc-data all 3.1.3-2 [445 kB] Get: 298 http://deb.debian.org/debian unstable/main arm64 pandoc arm64 3.1.3+ds-3 [24.2 MB] Get: 299 http://deb.debian.org/debian unstable/main arm64 postgresql-client-16 arm64 16.3-1 [1855 kB] Get: 300 http://deb.debian.org/debian unstable/main arm64 postgresql-server-dev-16 arm64 16.3-1 [1163 kB] Get: 301 http://deb.debian.org/debian unstable/main arm64 postgresql-server-dev-all arm64 260 [20.1 kB] Get: 302 http://deb.debian.org/debian unstable/main arm64 preview-latex-style all 13.2-1 [350 kB] Get: 303 http://deb.debian.org/debian unstable/main arm64 python-babel-localedata all 2.14.0-1 [5701 kB] Get: 304 http://deb.debian.org/debian unstable/main arm64 python3-alabaster all 0.7.12-1 [20.8 kB] Get: 305 http://deb.debian.org/debian unstable/main arm64 python3-tz all 2024.1-2 [30.9 kB] Get: 306 http://deb.debian.org/debian unstable/main arm64 python3-babel all 2.14.0-1 [111 kB] Get: 307 http://deb.debian.org/debian unstable/main arm64 python3-certifi all 2023.11.17-1 [155 kB] Get: 308 http://deb.debian.org/debian unstable/main arm64 python3-chardet all 5.2.0+dfsg-1 [107 kB] Get: 309 http://deb.debian.org/debian unstable/main arm64 python3-charset-normalizer all 3.3.2-1 [51.6 kB] Get: 310 http://deb.debian.org/debian unstable/main arm64 python3-commonmark all 0.9.1-6 [45.3 kB] Get: 311 http://deb.debian.org/debian unstable/main arm64 python3-six all 1.16.0-6 [16.3 kB] Get: 312 http://deb.debian.org/debian unstable/main arm64 python3-dateutil all 2.9.0-2 [79.4 kB] Get: 313 http://deb.debian.org/debian unstable/main arm64 python3-roman all 3.3-3 [9880 B] Get: 314 http://deb.debian.org/debian unstable/main arm64 python3-docutils all 0.20.1+dfsg-3 [389 kB] Get: 315 http://deb.debian.org/debian unstable/main arm64 python3-greenlet arm64 3.0.1-3 [171 kB] Get: 316 http://deb.debian.org/debian unstable/main arm64 python3-idna all 3.6-2 [37.0 kB] Get: 317 http://deb.debian.org/debian unstable/main arm64 python3-imagesize all 1.4.1-1 [6688 B] Get: 318 http://deb.debian.org/debian unstable/main arm64 python3-markupsafe arm64 2.1.5-1 [14.6 kB] Get: 319 http://deb.debian.org/debian unstable/main arm64 python3-jinja2 all 3.1.3-1 [119 kB] Get: 320 http://deb.debian.org/debian unstable/main arm64 python3-mdurl all 0.1.2-1 [9444 B] Get: 321 http://deb.debian.org/debian unstable/main arm64 python3-markdown-it all 3.0.0-2 [62.5 kB] Get: 322 http://deb.debian.org/debian unstable/main arm64 python3-mdit-py-plugins all 0.4.0-1 [33.0 kB] Get: 323 http://deb.debian.org/debian unstable/main arm64 sphinx-common all 7.2.6-6 [702 kB] Get: 324 http://deb.debian.org/debian unstable/main arm64 python3-urllib3 all 1.26.18-2 [116 kB] Get: 325 http://deb.debian.org/debian unstable/main arm64 python3-requests all 2.31.0+dfsg-1 [68.6 kB] Get: 326 http://deb.debian.org/debian unstable/main arm64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 327 http://deb.debian.org/debian unstable/main arm64 python3-sphinx all 7.2.6-6 [552 kB] Get: 328 http://deb.debian.org/debian unstable/main arm64 python3-myst-parser all 3.0.1-1 [77.5 kB] Get: 329 http://deb.debian.org/debian unstable/main arm64 python3-numpy arm64 1:1.26.4+ds-8 [4219 kB] Get: 330 http://deb.debian.org/debian unstable/main arm64 python3-pandas-lib arm64 2.1.4+dfsg-8 [6609 kB] Get: 331 http://deb.debian.org/debian unstable/main arm64 python3-pandas all 2.1.4+dfsg-8 [3015 kB] Get: 332 http://deb.debian.org/debian unstable/main arm64 python3-pil arm64 10.3.0-2 [552 kB] Get: 333 http://deb.debian.org/debian unstable/main arm64 python3-recommonmark all 0.7.1+ds-5 [17.3 kB] Get: 334 http://deb.debian.org/debian unstable/main arm64 python3-sqlalchemy all 1.4.50+ds1-1 [1009 kB] Get: 335 http://deb.debian.org/debian unstable/main arm64 rapidjson-dev all 1.1.0+dfsg2-7.2 [97.8 kB] Get: 336 http://deb.debian.org/debian unstable/main arm64 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Get: 337 http://deb.debian.org/debian unstable/main arm64 xfonts-utils arm64 1:7.7+6 [85.6 kB] Get: 338 http://deb.debian.org/debian unstable/main arm64 tex-gyre all 20180621-6 [6209 kB] Get: 339 http://deb.debian.org/debian unstable/main arm64 texlive-fonts-recommended all 2023.20240207-1 [4990 kB] Get: 340 http://deb.debian.org/debian unstable/main arm64 texlive-latex-recommended all 2023.20240207-1 [8843 kB] Get: 341 http://deb.debian.org/debian unstable/main arm64 texlive-pictures all 2023.20240207-1 [16.7 MB] Get: 342 http://deb.debian.org/debian unstable/main arm64 texlive-latex-extra all 2023.20240207-1 [19.7 MB] Fetched 378 MB in 3s (120 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package m4. (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 ... 19744 files and directories currently installed.) Preparing to unpack .../00-m4_1.4.19-4_arm64.deb ... Unpacking m4 (1.4.19-4) ... Selecting previously unselected package flex. Preparing to unpack .../01-flex_2.6.4-8.2+b2_arm64.deb ... Unpacking flex (2.6.4-8.2+b2) ... Selecting previously unselected package libfftw3-double3:arm64. Preparing to unpack .../02-libfftw3-double3_3.3.10-1+b2_arm64.deb ... Unpacking libfftw3-double3:arm64 (3.3.10-1+b2) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../03-libexpat1_2.6.2-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.2-1) ... Selecting previously unselected package libbrotli1:arm64. Preparing to unpack .../04-libbrotli1_1.1.0-2+b3_arm64.deb ... Unpacking libbrotli1:arm64 (1.1.0-2+b3) ... Selecting previously unselected package libpng16-16t64:arm64. Preparing to unpack .../05-libpng16-16t64_1.6.43-5_arm64.deb ... Unpacking libpng16-16t64:arm64 (1.6.43-5) ... Selecting previously unselected package libfreetype6:arm64. Preparing to unpack .../06-libfreetype6_2.13.2+dfsg-1+b4_arm64.deb ... Unpacking libfreetype6:arm64 (2.13.2+dfsg-1+b4) ... Selecting previously unselected package fonts-dejavu-mono. Preparing to unpack .../07-fonts-dejavu-mono_2.37-8_all.deb ... Unpacking fonts-dejavu-mono (2.37-8) ... Selecting previously unselected package fonts-dejavu-core. Preparing to unpack .../08-fonts-dejavu-core_2.37-8_all.deb ... Unpacking fonts-dejavu-core (2.37-8) ... Selecting previously unselected package fontconfig-config. Preparing to unpack .../09-fontconfig-config_2.15.0-1.1_arm64.deb ... Unpacking fontconfig-config (2.15.0-1.1) ... Selecting previously unselected package libfontconfig1:arm64. Preparing to unpack .../10-libfontconfig1_2.15.0-1.1_arm64.deb ... Unpacking libfontconfig1:arm64 (2.15.0-1.1) ... Selecting previously unselected package libsharpyuv0:arm64. Preparing to unpack .../11-libsharpyuv0_1.4.0-0.1_arm64.deb ... Unpacking libsharpyuv0:arm64 (1.4.0-0.1) ... Selecting previously unselected package libdav1d7:arm64. Preparing to unpack .../12-libdav1d7_1.4.1-1_arm64.deb ... Unpacking libdav1d7:arm64 (1.4.1-1) ... Selecting previously unselected package libheif-plugin-dav1d:arm64. Preparing to unpack .../13-libheif-plugin-dav1d_1.17.6-1+b2_arm64.deb ... Unpacking libheif-plugin-dav1d:arm64 (1.17.6-1+b2) ... Selecting previously unselected package libde265-0:arm64. Preparing to unpack .../14-libde265-0_1.0.15-1+b1_arm64.deb ... Unpacking libde265-0:arm64 (1.0.15-1+b1) ... Selecting previously unselected package libheif-plugin-libde265:arm64. Preparing to unpack .../15-libheif-plugin-libde265_1.17.6-1+b2_arm64.deb ... Unpacking libheif-plugin-libde265:arm64 (1.17.6-1+b2) ... Selecting previously unselected package libheif1:arm64. Preparing to unpack .../16-libheif1_1.17.6-1+b2_arm64.deb ... Unpacking libheif1:arm64 (1.17.6-1+b2) ... Selecting previously unselected package libjbig0:arm64. Preparing to unpack .../17-libjbig0_2.1-6.1+b1_arm64.deb ... Unpacking libjbig0:arm64 (2.1-6.1+b1) ... Selecting previously unselected package libjpeg62-turbo:arm64. Preparing to unpack .../18-libjpeg62-turbo_1%3a2.1.5-3_arm64.deb ... Unpacking libjpeg62-turbo:arm64 (1:2.1.5-3) ... Selecting previously unselected package liblcms2-2:arm64. Preparing to unpack .../19-liblcms2-2_2.14-2+b1_arm64.deb ... Unpacking liblcms2-2:arm64 (2.14-2+b1) ... Selecting previously unselected package libglib2.0-0t64:arm64. Preparing to unpack .../20-libglib2.0-0t64_2.80.1-1_arm64.deb ... Unpacking libglib2.0-0t64:arm64 (2.80.1-1) ... Selecting previously unselected package liblqr-1-0:arm64. Preparing to unpack .../21-liblqr-1-0_0.4.2-2.1+b1_arm64.deb ... Unpacking liblqr-1-0:arm64 (0.4.2-2.1+b1) ... Selecting previously unselected package libltdl7:arm64. Preparing to unpack .../22-libltdl7_2.4.7-7+b1_arm64.deb ... Unpacking libltdl7:arm64 (2.4.7-7+b1) ... Selecting previously unselected package libopenjp2-7:arm64. Preparing to unpack .../23-libopenjp2-7_2.5.0-2+b3_arm64.deb ... Unpacking libopenjp2-7:arm64 (2.5.0-2+b3) ... Selecting previously unselected package libraw23t64:arm64. Preparing to unpack .../24-libraw23t64_0.21.2-2.1_arm64.deb ... Unpacking libraw23t64:arm64 (0.21.2-2.1) ... Selecting previously unselected package libdeflate0:arm64. 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Creating config file /etc/postgresql-common/createcluster.conf with new version Building PostgreSQL dictionaries from installed myspell/hunspell packages... Removing obsolete dictionary files: invoke-rc.d: could not determine current runlevel invoke-rc.d: policy-rc.d denied execution of start. Setting up libxcb-render0-dev:arm64 (1.17.0-1) ... Setting up libxext-dev:arm64 (2:1.3.4-1+b1) ... Setting up cmake (3.29.2-2) ... Setting up libcairo-gobject2:arm64 (1.18.0-3+b1) ... Setting up llvm-16 (1:16.0.6-27) ... Setting up libpangoft2-1.0-0:arm64 (1.52.2+ds-1) ... Setting up libxrender-dev:arm64 (1:0.9.10-1.1+b1) ... Setting up tex-gyre (20180621-6) ... Setting up libboost-thread-dev:arm64 (1.83.0.2+b2) ... Setting up libpangocairo-1.0-0:arm64 (1.52.2+ds-1) ... Setting up libpython3-stdlib:arm64 (3.11.8-1) ... Setting up libcairo-script-interpreter2:arm64 (1.18.0-3+b1) ... Setting up python3.11 (3.11.9-1) ... Setting up libxmu6:arm64 (2:1.1.3-3+b2) ... Setting up libpython3-dev:arm64 (3.11.8-1) ... Setting up libxi6:arm64 (2:1.8.1-1) ... Setting up libfontconfig-dev:arm64 (2.15.0-1.1) ... Setting up python3.11-dev (3.11.9-1) ... Setting up clang-16 (1:16.0.6-27) ... Setting up preview-latex-style (13.2-1) ... Setting up postgresql-client-16 (16.3-1) ... update-alternatives: using /usr/share/postgresql/16/man/man1/psql.1.gz to provide /usr/share/man/man1/psql.1.gz (psql.1.gz) in auto mode Setting up debhelper (13.15.3) ... Setting up python3 (3.11.8-1) ... Setting up libxaw7:arm64 (2:1.0.14-1+b2) ... Setting up python3-markupsafe (2.1.5-1) ... Setting up python3-tz (2024.1-2) ... Setting up librsvg2-2:arm64 (2.58.0+dfsg-1) ... Setting up python3-six (1.16.0-6) ... Setting up python3-pil:arm64 (10.3.0-2) ... Setting up python3-roman (3.3-3) ... Setting up python3-jinja2 (3.1.3-1) ... Setting up python3-packaging (24.0-1) ... Setting up python3-certifi (2023.11.17-1) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up python3-mdurl (0.1.2-1) ... Setting up python3-greenlet (3.0.1-3) ... Setting up python3-idna (3.6-2) ... Setting up python3-urllib3 (1.26.18-2) ... Setting up python3-markdown-it (3.0.0-2) ... Setting up texlive-binaries (2023.20230311.66589-9+b2) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up python3-dateutil (2.9.0-2) ... Setting up python3-lib2to3 (3.12.3-1) ... Setting up texlive-base (2023.20240207-1) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up python3-imagesize (1.4.1-1) ... Setting up python3-commonmark (0.9.1-6) ... Setting up python3-pkg-resources (68.1.2-2) ... Setting up python3-distutils (3.12.3-1) ... Setting up libglib2.0-dev-bin (2.80.1-1) ... Setting up librsvg2-bin (2.58.0+dfsg-1) ... Setting up python3-setuptools (68.1.2-2) ... Setting up python3-babel (2.14.0-1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up python3-charset-normalizer (3.3.2-1) ... Setting up python3-alabaster (0.7.12-1) ... Setting up python3-mdit-py-plugins (0.4.0-1) ... Setting up python3-yaml (6.0.1-2) ... Setting up python3-sqlalchemy (1.4.50+ds1-1) ... Setting up python3-pygments (2.17.2+dfsg-1) ... Setting up python3-chardet (5.2.0+dfsg-1) ... Setting up libglib2.0-dev:arm64 (2.80.1-1) ... Setting up texlive-latex-base (2023.20240207-1) ... Setting up python3-dev (3.11.8-1) ... Setting up texlive-latex-recommended (2023.20240207-1) ... Setting up python3-requests (2.31.0+dfsg-1) ... Setting up libboost-python1.83-dev (1.83.0-2.1+b1) ... Setting up python3-numpy (1:1.26.4+ds-8) ... Setting up texlive-pictures (2023.20240207-1) ... Setting up texlive-fonts-recommended (2023.20240207-1) ... Setting up libcairo2-dev:arm64 (1.18.0-3+b1) ... Setting up dh-python (6.20240422) ... Setting up python3-pandas-lib:arm64 (2.1.4+dfsg-8) ... Setting up latexmk (1:4.85-1) ... Setting up texlive-latex-extra (2023.20240207-1) ... Setting up libboost-python-dev (1.83.0.2+b2) ... Setting up llvm-16-tools (1:16.0.6-27) ... Setting up python3-pandas (2.1.4+dfsg-8) ... Setting up llvm-16-dev (1:16.0.6-27) ... Setting up postgresql-server-dev-16 (16.3-1) ... Setting up postgresql-server-dev-all:arm64 (260) ... Setting up libheif-plugin-dav1d:arm64 (1.17.6-1+b2) ... Setting up libheif-plugin-libde265:arm64 (1.17.6-1+b2) ... Setting up libheif1:arm64 (1.17.6-1+b2) ... Setting up libmagickcore-6.q16-7t64:arm64 (8:6.9.12.98+dfsg1-5.2) ... Setting up libmagickwand-6.q16-7t64:arm64 (8:6.9.12.98+dfsg1-5.2) ... Setting up imagemagick-6.q16 (8:6.9.12.98+dfsg1-5.2) ... update-alternatives: using /usr/bin/compare-im6.q16 to provide /usr/bin/compare (compare) in auto mode update-alternatives: using /usr/bin/compare-im6.q16 to provide /usr/bin/compare-im6 (compare-im6) in auto mode update-alternatives: using /usr/bin/animate-im6.q16 to provide /usr/bin/animate (animate) in auto mode update-alternatives: using /usr/bin/animate-im6.q16 to provide /usr/bin/animate-im6 (animate-im6) in auto mode update-alternatives: using /usr/bin/convert-im6.q16 to provide /usr/bin/convert (convert) in auto mode update-alternatives: using /usr/bin/convert-im6.q16 to provide /usr/bin/convert-im6 (convert-im6) in auto mode update-alternatives: using /usr/bin/composite-im6.q16 to provide /usr/bin/composite (composite) in auto mode update-alternatives: using /usr/bin/composite-im6.q16 to provide /usr/bin/composite-im6 (composite-im6) in auto mode update-alternatives: using /usr/bin/conjure-im6.q16 to provide /usr/bin/conjure (conjure) in auto mode update-alternatives: using /usr/bin/conjure-im6.q16 to provide /usr/bin/conjure-im6 (conjure-im6) in auto mode update-alternatives: using /usr/bin/import-im6.q16 to provide /usr/bin/import (import) in auto mode update-alternatives: using /usr/bin/import-im6.q16 to provide /usr/bin/import-im6 (import-im6) in auto mode update-alternatives: using /usr/bin/identify-im6.q16 to provide /usr/bin/identify (identify) in auto mode update-alternatives: using /usr/bin/identify-im6.q16 to provide /usr/bin/identify-im6 (identify-im6) in auto mode update-alternatives: using /usr/bin/stream-im6.q16 to provide /usr/bin/stream (stream) in auto mode update-alternatives: using /usr/bin/stream-im6.q16 to provide /usr/bin/stream-im6 (stream-im6) in auto mode update-alternatives: using /usr/bin/display-im6.q16 to provide /usr/bin/display (display) in auto mode update-alternatives: using /usr/bin/display-im6.q16 to provide /usr/bin/display-im6 (display-im6) in auto mode update-alternatives: using /usr/bin/montage-im6.q16 to provide /usr/bin/montage (montage) in auto mode update-alternatives: using /usr/bin/montage-im6.q16 to provide /usr/bin/montage-im6 (montage-im6) in auto mode update-alternatives: using /usr/bin/mogrify-im6.q16 to provide /usr/bin/mogrify (mogrify) in auto mode update-alternatives: using /usr/bin/mogrify-im6.q16 to provide /usr/bin/mogrify-im6 (mogrify-im6) in auto mode Setting up imagemagick (8:6.9.12.98+dfsg1-5.2) ... Processing triggers for libc-bin (2.38-8) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.20.1+dfsg-3) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.20.1+dfsg-3) ... Setting up python3-sphinx (7.2.6-6) ... Setting up python3-myst-parser (3.0.1-1) ... Setting up python3-recommonmark (0.7.1+ds-5) ... Processing triggers for ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. Processing triggers for tex-common (6.18) ... Running updmap-sys. This may take some time... done. Running mktexlsr /var/lib/texmf ... done. Building format(s) --all. This may take some time... done. Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: user script /srv/workspace/pbuilder/2570913/tmp/hooks/A99_set_merged_usr starting Not re-configuring usrmerge for experimental I: user script /srv/workspace/pbuilder/2570913/tmp/hooks/A99_set_merged_usr finished hostname: Name or service not known I: Running cd /build/reproducible-path/rdkit-202309.3/ && 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 > ../rdkit_202309.3-4~exp1_source.changes dpkg-buildpackage: info: source package rdkit dpkg-buildpackage: info: source version 202309.3-4~exp1 dpkg-buildpackage: info: source distribution experimental dpkg-buildpackage: info: source changed by Andrius Merkys dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean pg_buildext checkcontrol dh clean --with python3 --buildsystem=cmake debian/rules override_dh_auto_clean make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' find /build/reproducible-path/rdkit-202309.3 -name "*.pyc" | xargs rm -f rm -f -r Projects/DbCLI/testData/bzr/ rdkit/Chem/inchi.py rm -f -r Docs/Book/_build Code/docs rdkit/docs Code/doxygen_sqlite3.db rm -f \ Code/ForceField/MMFF/test_data/MMFF94_dative_min.sdf \ Code/ForceField/MMFF/test_data/MMFF94_dative_min_from_SMILES.sdf \ Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min.sdf \ Code/ForceField/MMFF/test_data/MMFF94_hypervalent_min_from_SMILES.sdf \ Code/ForceField/MMFF/test_data/MMFF94_reference.log \ Code/ForceField/MMFF/test_data/MMFF94s_reference.log \ Code/ForceField/MMFF/test_data/testMMFFForceField.log \ Code/GraphMol/Depictor/test_data/cis_trans_cpp.out.sdf \ Code/GraphMol/Depictor/test_data/collisions.out.sdf \ Code/GraphMol/Depictor/test_data/first_200.out.sdf \ Code/GraphMol/Depictor/test_data/test1.out.sdf \ Code/GraphMol/FileParsers/test_data/blah.sdf \ Code/GraphMol/FileParsers/test_data/cdk2_stereo.sdf \ Code/GraphMol/FileParsers/test_data/outNCI_few.sdf \ Code/GraphMol/FileParsers/test_data/outNCI_few.tdt \ Code/GraphMol/FileParsers/test_data/outNCI_first_200.props.sdf \ Code/GraphMol/FileParsers/test_data/outSmiles.csv \ Code/GraphMol/ForceFieldHelpers/UFF/test_data/Issue62.sdf \ Code/GraphMol/MolAlign/test_data/ref_e2_pyCrippenO3A.sdf \ Code/GraphMol/SLNParse/lex.yysln.cpp \ Code/GraphMol/SLNParse/sln.tab.cpp \ Code/GraphMol/SLNParse/sln.tab.hpp \ Code/GraphMol/SmilesParse/lex.yysmarts.cpp \ Code/GraphMol/SmilesParse/lex.yysmiles.cpp \ Code/GraphMol/SmilesParse/smarts.tab.cpp \ Code/GraphMol/SmilesParse/smarts.tab.hpp \ Code/GraphMol/SmilesParse/smiles.tab.cpp \ Code/GraphMol/SmilesParse/smiles.tab.hpp \ Code/GraphMol/Wrap/test_data/outNCI_few.sdf \ Code/GraphMol/Wrap/test_data/outSmiles.txt \ Code/RDGeneral/versions.cpp \ Docs/Book/Cartridge.rst \ Docs/Book/Install.rst \ Docs/Book/Overview.rst \ rdkit/ML/Data/test_data/testgeneral.dat.pkl \ rdkit/ML/Data/test_data/testquant.qdat.pkl rm -f Code/RDGeneral/versions.h rdkit/sping/tests/testallps.ps dh_auto_clean pg_buildext clean /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit build-%v rm -rf build-*/ make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' dh_autoreconf_clean -O--buildsystem=cmake dh_clean -O--buildsystem=cmake debian/rules binary dh binary --with python3 --buildsystem=cmake dh_update_autotools_config -O--buildsystem=cmake dh_autoreconf -O--buildsystem=cmake debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_auto_configure -- -DCMAKE_BUILD_TYPE=None -DCMAKE_SKIP_RPATH=ON -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_OPTIMIZE_POPCNT=OFF -DRDK_USE_URF=OFF -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DBoost_NO_BOOST_CMAKE=TRUE -DCMAKE_INSTALL_PREFIX=/usr -DCATCH_DIR=/usr/include/catch2 -DPYTHON_EXECUTABLE=/usr/bin/python3.11 ../ cd obj-aarch64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/aarch64-linux-gnu -DCMAKE_BUILD_TYPE=None -DCMAKE_SKIP_RPATH=ON -DRDK_INSTALL_INTREE=OFF -DRDK_INSTALL_STATIC_LIBS=OFF -DRDK_BUILD_THREADSAFE_SSS=ON -DRDK_BUILD_PYTHON_WRAPPERS=ON -DRDK_OPTIMIZE_POPCNT=OFF -DRDK_USE_URF=OFF -DRDK_INSTALL_COMIC_FONTS=OFF -DRDK_BUILD_CAIRO_SUPPORT=ON -DBoost_NO_BOOST_CMAKE=TRUE -DCMAKE_INSTALL_PREFIX=/usr -DCATCH_DIR=/usr/include/catch2 -DPYTHON_EXECUTABLE=/usr/bin/python3.11 ../ .. -- The C compiler identification is GNU 13.2.0 -- The CXX compiler identification is GNU 13.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Warning (dev) at CMakeLists.txt:293 (find_package): Policy CMP0148 is not set: The FindPythonInterp and FindPythonLibs modules are removed. Run "cmake --help-policy CMP0148" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found PythonInterp: /usr/bin/python3.11 (found version "3.11.9") CMake Warning (dev) at CMakeLists.txt:302 (find_package): Policy CMP0148 is not set: The FindPythonInterp and FindPythonLibs modules are removed. Run "cmake --help-policy CMP0148" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found PythonLibs: /usr/lib/aarch64-linux-gnu/libpython3.11.so (found version "3.11.9") CMake Warning (dev) at Code/cmake/Modules/FindNumPy.cmake:10 (find_package): Policy CMP0148 is not set: The FindPythonInterp and FindPythonLibs modules are removed. Run "cmake --help-policy CMP0148" for policy details. Use the cmake_policy command to set the policy and suppress this warning. Call Stack (most recent call first): CMakeLists.txt:317 (find_package) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning (dev) at Code/cmake/Modules/FindNumPy.cmake:14 (EXEC_PROGRAM): Policy CMP0153 is not set: The exec_program command should not be called. Run "cmake --help-policy CMP0153" for policy details. Use the cmake_policy command to set the policy and suppress this warning. Use execute_process() instead. Call Stack (most recent call first): CMakeLists.txt:317 (find_package) This warning is for project developers. Use -Wno-dev to suppress it. CMake Warning at /usr/share/cmake-3.29/Modules/FindBoost.cmake:2234 (message): No header defined for python-py311; skipping header check (note: header-only libraries have no designated component) Call Stack (most recent call first): CMakeLists.txt:331 (find_package) Python Install directory /usr/lib/python3.11/site-packages PYTHON Py_ENABLE_SHARED: 1 PYTHON USING LINK LINE: -shared -Wl,-O1 -Wl,-Bsymbolic-functions nbval not found, disabling the jupyter tests -- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Found Boost: /usr/include (found suitable version "1.83.0", minimum required is "1.58.0") found components: system serialization iostreams regex -- Found Boost: /usr/include (found suitable version "1.83.0", minimum required is "1.58.0") found components: system iostreams regex == Using strict rotor definition -- maeparser include dir set as '/usr/include' -- maeparser libraries set as '/usr/lib/aarch64-linux-gnu/libmaeparser.so' -- Found maeparser: /usr/include -- coordgen include dir set as /usr/include -- coordgen libraries set as '/usr/lib/aarch64-linux-gnu/libcoordgen.so' -- Found coordgen: /usr/include CMake Warning (dev) at Code/GraphMol/FilterCatalog/CMakeLists.txt:5 (find_package): Policy CMP0148 is not set: The FindPythonInterp and FindPythonLibs modules are removed. Run "cmake --help-policy CMP0148" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Found Cairo: /usr/include/cairo -- Found Freetype: /usr/lib/aarch64-linux-gnu/libfreetype.so (found version "2.13.2") -- Could NOT find Boost (missing: program_options) (found suitable version "1.83.0", minimum required is "1.58.0") -- Configuring done (2.8s) -- Generating done (0.8s) CMake Warning: Manually-specified variables were not used by the project: CATCH_DIR CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY CMAKE_INSTALL_LIBDIR CMAKE_INSTALL_LOCALSTATEDIR CMAKE_INSTALL_RUNSTATEDIR CMAKE_INSTALL_SYSCONFDIR FETCHCONTENT_FULLY_DISCONNECTED -- Build files have been written to: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_auto_build cd obj-aarch64-linux-gnu && make -j12 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-I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/GA/util/RandomUtil.cpp [ 2%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/GA/util/Util.cpp [ 2%] Linking CXX static library librdkitCatch.a cd 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitga.so.1 -o ../../lib/libRDKitga.so.1.2023.09.3 CMakeFiles/ga.dir/ga/StringChromosome.cpp.o CMakeFiles/ga.dir/ga/Chromosome.cpp.o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/util/RandomUtil.cpp.o CMakeFiles/ga.dir/util/Util.cpp.o /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_symlink_library 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/testConcurrentQueue.cpp [ 3%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o cd 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-std=gnu++17 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDBoost/Wrap.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/testRDValue.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVect.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT 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CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 4%] Linking CXX executable logTestsCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/logTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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target Catalogs [ 4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so [ 5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/FPBReader.cpp [ 5%] Linking CXX executable testMatrices cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. 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make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 5%] Built target RDBoost make -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 5%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdBase_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o -MF CMakeFiles/rdBase.dir/RDBase.cpp.o.d -o CMakeFiles/rdBase.dir/RDBase.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/RDBoost/Wrap/RDBase.cpp [ 5%] Built target testMatrices make -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ML/Cluster/Murtagh 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/usr/lib/libCatch2.a /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 5%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DClustering_EXPORTS 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/build/reproducible-path/rdkit-202309.3/Code/ML/Cluster/Murtagh/Clustering.cpp [ 5%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/MultiFPBReader.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 6%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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/build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/HierarchicalClusterPicker.cpp [ 6%] Built target dictTestsCatch [ 6%] Linking CXX executable testQuery cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testQuery.dir/test.cpp.o -o testQuery ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so 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../../lib/libRDKitSimDivPickers.so.1.2023.09.3 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so make[4]: Leaving directory 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-fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/testPickers.cpp [ 6%] Linking CXX executable testRDValue cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDict.dir/testDict.cpp.o -o testDict ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 6%] Built target testDict [ 6%] Linking CXX shared library ../../lib/libRDKitDataStructs.so cd 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/InfoBitRanker.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 8%] Built target Clustering [ 8%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -MF CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/GridUtils.cpp [ 10%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_link_script CMakeFiles/InfoTheory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitInfoTheory.so.1 -o ../../../lib/libRDKitInfoTheory.so.1.2023.09.3 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Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp [ 10%] Linking CXX executable pickersTestsCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 10%] Built target pickersTestsCatch make -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp [ 12%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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-DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/LeaderPicker.cpp [ 12%] Linking CXX shared library 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/AlignPoints.cpp make -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 14%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testTransforms.cpp [ 14%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o ../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 14%] Built target cQuantize make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 15%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/testGrid.cpp [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp [ 15%] Linking CXX shared library ../../../lib/libRDKitAlignment.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1 [ 15%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2023.09.3 CMakeFiles/Alignment.dir/AlignPoints.cpp.o ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o ../../../../lib/libRDKitInfoTheory.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:219:26: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:219:26: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:211:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:219:26: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:220:28: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:220:28: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:211:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:220:28: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:221:27: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:221:27: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:211:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:221:27: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 15%] Built target Alignment make -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/depend /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkDice(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:190:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:222:29: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 77 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:77:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 77 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTanimoto(const T&, boost::python::list, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:200:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:222:29: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 90 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:90:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 90 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp: In instantiation of 'boost::python::list {anonymous}::BulkTversky(const T&, boost::python::list, double, double, bool) [with T = RDKit::SparseIntVect]': /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:211:16: required from 'static void sparseIntVec_wrapper::wrapOne(const char*) [with IndexType = long unsigned int]' /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:222:29: required from here /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:14: warning: possibly dangling reference to a temporary [-Wdangling-reference] 104 | const T &siv2 = python::extract(sivs[i])(); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/SparseIntVect.cpp:104:48: note: the temporary was destroyed at the end of the full expression 'boost::python::extract >(boost::python::api::proxy::operator boost::python::api::object() const [with Policies = boost::python::api::item_policies]()).boost::python::extract >::.boost::python::converter::extract_rvalue >::operator()()' 104 | const T &siv2 = python::extract(sivs[i])(); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~ make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/CMakeFiles/geometryTestsCatch.dir/DependInfo.cmake "--color=" [ 15%] Built target rdInfoTheory make -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 15%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/catch_tests.cpp [ 15%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o -MF CMakeFiles/rdGeometry.dir/Point.cpp.o.d -o CMakeFiles/rdGeometry.dir/Point.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/Point.cpp [ 15%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_SparseBV.cpp [ 15%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/UniformGrid3D.cpp [ 15%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/rdGeometry.cpp [ 15%] Linking CXX executable testGrid cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 15%] Built target testGrid make -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/CMakeFiles/testConrec.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/build make[4]: Entering directory 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Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o ../../../lib/libRDKitSimDivPickers.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKithc.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so 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-Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/FreeChemicalFeature.cpp [ 16%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp [ 17%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2023.09.3 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 17%] Built target ChemicalFeatures make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures 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/build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/testChemicalFeatures.cpp [ 17%] Linking CXX executable testAlignment cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o -MF CMakeFiles/GraphMol.dir/FindRings.cpp.o.d -o CMakeFiles/GraphMol.dir/FindRings.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp [ 18%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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/usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 18%] Built target rdAlignment [ 18%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/wrap_Utils.cpp [ 18%] Linking CXX executable testChemicalFeatures cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o -MF CMakeFiles/GraphMol.dir/ROMol.cpp.o.d -o CMakeFiles/GraphMol.dir/ROMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ROMol.cpp [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RWMol.cpp [ 18%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 18%] Built target rdGeometry [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.cpp /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindRings.cpp:1348:36: warning: unused parameter 'mol' [-Wunused-parameter] 1348 | void findRingFamilies(const ROMol &mol) { | ~~~~~~~~~~~~~^~~ In file included from /usr/include/c++/13/bits/stl_algobase.h:64, from /usr/include/c++/13/bits/stl_tree.h:63, from /usr/include/c++/13/map:62, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.h:14, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.cpp:11: /usr/include/c++/13/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.cpp:96:57: required from here /usr/include/c++/13/bits/stl_pair.h:922:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 922 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/atomic_data.cpp [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.cpp [ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o -MF CMakeFiles/GraphMol.dir/Canon.cpp.o.d -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Canon.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/AtomIterators.cpp [ 19%] Linking CXX shared module ../../../rdkit/rdBase.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/BondIterators.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 19%] Built target rdBase [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Aromaticity.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o cd 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-DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -MF CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o.d -o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ConjugHybrid.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/AddHs.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Matrices.cpp [ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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../../../rdkit/DataStructs/cDataStructs.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RingInfo.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 20%] Built target cDataStructs [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 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-DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Renumber.cpp [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o cd 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Resonance.cpp [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -MF CMakeFiles/GraphMol.dir/StereoGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StereoGroup.cpp [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o -MF CMakeFiles/GraphMol.dir/new_canon.cpp.o.d -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/new_canon.cpp [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -MF CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstanceGroup.cpp [ 21%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o [ 21%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS 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-c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FindStereo.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -MF CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/NontetrahedralStereo.cpp [ 21%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DGraphMol_EXPORTS 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-c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/WedgeBonds.cpp [ 21%] Linking CXX shared library ../../lib/libRDKitGraphMol.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/GraphMol.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGraphMol.so.1 -o ../../lib/libRDKitGraphMol.so.1.2023.09.3 CMakeFiles/GraphMol.dir/Atom.cpp.o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o CMakeFiles/GraphMol.dir/QueryBond.cpp.o CMakeFiles/GraphMol.dir/Bond.cpp.o CMakeFiles/GraphMol.dir/MolOps.cpp.o CMakeFiles/GraphMol.dir/FindRings.cpp.o 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParse.cpp make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd 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-Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.cpp [ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build [ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/Subgraphs.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Parser.cpp [ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParse.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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/usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 21%] Built target MolCatalog make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o -MF CMakeFiles/rdqueries.dir/rdqueries.cpp.o.d -o CMakeFiles/rdqueries.dir/rdqueries.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdqueries.cpp [ 21%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ 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Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerParams.cpp [ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/CXSmilesOps.cpp [ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Mancude.cpp [ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/smiles.tab.cpp [ 21%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so cd 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp [ 23%] Linking CXX shared library 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 23%] Built target MolTransforms [ 23%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Node.cpp [ 28%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNAttribs.cpp [ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdTrajectory.cpp [ 28%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o ../../../lib/libRDKitChemicalFeatures.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 28%] Built target rdChemicalFeatures make -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Edge.cpp [ 28%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared 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directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/testOptimizer.cpp [ 28%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 28%] Built target rdPartialCharges make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ForceField /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o -MF CMakeFiles/ForceField.dir/ForceField.cpp.o.d -o CMakeFiles/ForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.cpp [ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Sort.cpp [ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Configuration.cpp [ 28%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructUtils.cpp [ 28%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so [ 29%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/lex.yysln.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 29%] Linking CXX executable testOptimizer cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1 [ 29%] Built target SmilesParse make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu 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-DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/cptest.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard 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29%] Built target testOptimizer make -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 29%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/itertest.cpp [ 30%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro 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-fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/memtest1.cpp [ 30%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 30%] Built target rdMolTransforms make -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 30%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/test-valgrind.cpp [ 30%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleBend.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 30%] Built target ShapeHelpers make -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 30%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_queries.cpp [ 30%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2023.09.3 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_molbundle.cpp make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/test2.cpp [ 30%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2023.09.3 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o ../../../lib/libRDKitGraphMol.so.1.2023.09.3 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o ../../../../lib/libRDKitMolCatalog.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2023.09.3 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 30%] Built target SLNParse make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/test-valgrind.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now "CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o" -o test-valgrind ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp [ 31%] Linking CXX executable smiTest2 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.cpp [ 31%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.cpp [ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 33%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.cpp [ 33%] Built target rdSLNParse make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 33%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp [ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionConstraint.cpp [ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o ../../../../lib/libRDKitMolInterchange.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so 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-DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp [ 36%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule2.cpp [ 36%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o ../../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 36%] Built target rdShapeHelpers make -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 36%] Built target moliteratorTestsCatch make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse 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-Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule3.cpp [ 39%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2023.09.3 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-I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.cpp [ 39%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.cpp [ 39%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK 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object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.cpp: In function 'std::pair ForceFields::MMFF::Utils::calcStbnForceConstants(const ForceFields::MMFF::MMFFStbn*)': /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.cpp:27:35: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 27 | const MMFFStbn *mmffStbnParams) { | ^ [ 39%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ 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Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 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-I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule6.cpp [ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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-I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/DistanceConstraint.cpp [ 40%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp [ 40%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp [ 40%] Linking CXX executable smaTest1 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1 [ 40%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp [ 42%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o 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../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 42%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp [ 42%] Building CXX object 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Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time 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object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MACCS.cpp [ 42%] Linking CXX executable testReducedGraphs cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra 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testReducedGraphs [ 42%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.cpp [ 42%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Params.cpp [ 42%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 43%] Built target rdReducedGraphs [ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o ../../../../lib/libRDKitCIPLabeler.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 43%] Built target rdCIPLabeler [ 43%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.cpp [ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp [ 43%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK 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Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp [ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.cpp [ 43%] Linking CXX shared library ../../lib/libRDKitForceField.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2023.09.3 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 43%] Built target ForceField make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers 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-DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp [ 43%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp [ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.cpp [ 43%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp [ 44%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 44%] Built target FragCatalog [ 44%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp [ 44%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/DepictUtils.cpp [ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o ../../../../lib/libRDKitAbbreviations.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 44%] Built target rdAbbreviations [ 44%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp: In function 'boost::python::api::object RDKit::GetAtomMatch(boost::python::api::object, int)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: warning: redundant move in return statement [-Wredundant-move] 45 | return std::move(res); | ~~~~~~~~~^~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp:45:19: note: remove 'std::move' call [ 44%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp [ 45%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp [ 45%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp [ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o ../../../../lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 45%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 45%] Built target rdMolChemicalFeatures [ 45%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp [ 45%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp [ 46%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2023.09.3 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 46%] Built target Fingerprints make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color=" make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 46%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp [ 46%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp: In function 'void RDKit::MMFF::Tools::addStretchBend(const RDKit::ROMol&, RDKit::MMFF::MMFFMolProperties*, ForceFields::ForceField*)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:419:68: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 419 | MMFF::Utils::calcStbnForceConstants(&mmffStbnParams); | ^ [ 47%] Linking CXX shared library ../../../lib/libRDKitDepictor.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2023.09.3 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Built target Depictor make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp [ 47%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/ChemTransforms.cpp [ 47%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/MolFragmenter.cpp /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitPathsHelper(const RDKit::AdditionalOutput&)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: warning: redundant move in return statement [-Wredundant-move] 452 | return std::move(res); | ~~~~~~~~~^~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:452:19: note: remove 'std::move' call /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp: In function 'boost::python::api::object RDKit::FingerprintWrapper::getBitInfoMapHelper(const RDKit::AdditionalOutput&)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: warning: redundant move in return statement [-Wredundant-move] 467 | return std::move(res); | ~~~~~~~~~^~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp:467:19: note: remove 'std::move' call [ 47%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Built target FilterCatalog make -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp [ 47%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp [ 47%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceFieldHelpers.so.1 -o ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Built target ForceFieldHelpers make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build [ 47%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistGeomUtils.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 47%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/TriangleSmooth.cpp [ 47%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o [ 48%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap/ForceField.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp [ 48%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp [ 48%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o cd 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-fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistViolationContrib.cpp [ 49%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralViolationContrib.cpp [ 49%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 49%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o ../../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 49%] Built target rdMHFPFingerprint make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 49%] Built target rdDepictor /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::UFFConfsHelper(ROMol&, int, int, double, bool)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: warning: redundant move in return statement [-Wredundant-move] 49 | return std::move(pyres); | ~~~~~~~~~^~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:49:19: note: remove 'std::move' call /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::MMFFConfsHelper(ROMol&, int, int, std::string, double, bool)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: warning: redundant move in return statement [-Wredundant-move] 66 | return std::move(pyres); | ~~~~~~~~~^~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:66:19: note: remove 'std::move' call /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp: In function 'boost::python::api::object RDKit::FFConfsHelper(ROMol&, ForceFields::PyForceField&, int, int)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: warning: redundant move in return statement [-Wredundant-move] 86 | return std::move(pyres); | ~~~~~~~~~^~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp:86:19: note: remove 'std::move' call [ 49%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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../../lib/libRDKitDistGeometry.so.1.2023.09.3 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1 ../../../lib/libRDKitChemTransforms.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 49%] Built target ChemTransforms make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o [ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o [ 49%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/testDistGeom.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeom_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap/DistGeom.cpp [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c 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target rdFingerprintGenerator [ 50%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.cpp [ 50%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 50%] Built target O3AAlign [ 50%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp [ 50%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupWriting.cpp [ 51%] Linking CXX executable testDistGeom cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom ../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../lib/libRDKitForceField.so.1.2023.09.3 ../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so 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../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 51%] Built target rdForceField [ 51%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o cd 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-Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileWriter.cpp [ 51%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/TDTWriter.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 52%] Built target DistGeomHelpers [ 52%] Building CXX object 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CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PDBSupplier.cpp [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 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Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MaeWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MaeWriter.cpp [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o -MF CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o.d -o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/ProximityBonds.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o cd 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-Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceParsers.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceWriters.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o -MF CMakeFiles/FileParsers.dir/SVGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SVGParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SVGParser.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o -MF CMakeFiles/FileParsers.dir/PNGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PNGParser.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp [ 54%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 54%] Built target rdfiltercatalog [ 54%] Linking CXX shared library ../../../lib/libRDKitFileParsers.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFileParsers.so.1 -o ../../../lib/libRDKitFileParsers.so.1.2023.09.3 CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDWriter.cpp.o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o CMakeFiles/FileParsers.dir/PDBParser.cpp.o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o CMakeFiles/FileParsers.dir/SVGParser.cpp.o CMakeFiles/FileParsers.dir/PNGParser.cpp.o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1 ../../../lib/libRDKitFileParsers.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 54%] Built target FileParsers make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color=" make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake "--color=" make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color=" make -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202309.3/External/CoordGen/test.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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-I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/testUFFForceField.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/depend cd 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-DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/testMMFFForceField.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color=" [ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o [ 54%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/molopstest.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/test1.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/testSGroup.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/resMolSupplierTest.cpp [ 55%] Linking CXX executable molBundleTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 55%] Built target molBundleTest make -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol 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object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_sgroups.cpp [ 56%] Linking CXX executable hanoiTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script 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../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 57%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/catch_chirality.cpp [ 57%] Linking CXX executable testCoordGen cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script 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"--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 58%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testGeneralFileReader.cpp [ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/BCUT.cpp [ 59%] Linking CXX executable cxsmilesTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -MF CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o.d -o CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp [ 60%] Linking CXX executable testDepictor cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testMolWriter.cpp /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/BCUT.cpp: In function 'std::pair RDKit::Descriptors::{anonymous}::BCUT2D(std::unique_ptr >&, const std::vector&)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/BCUT.cpp:70:71: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 70 | const std::vector &atom_props) { | ^ [ 60%] Linking CXX executable graphmolTestsCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testTpls.cpp [ 60%] Linking CXX executable testGeneralFileReader cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 60%] Built target testGeneralFileReader make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -MF CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o.d -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testMol2ToMol.cpp [ 61%] Linking CXX executable testMultithreadedMolSupplier cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitRDStreams.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 -ldl /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Built target testMultithreadedMolSupplier make -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o -MF CMakeFiles/testSequence.dir/testSequence.cpp.o.d -o CMakeFiles/testSequence.dir/testSequence.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testSequence.cpp [ 61%] Linking CXX executable testMol2ToMol cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Built target testMol2ToMol make -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -MF CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o.d -o CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp [ 61%] Linking CXX executable testSequence cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so [ 61%] Linking CXX executable testTplParser cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Built target testSequence make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/file_parsers_catch.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Built target testTplParser make -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 61%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS 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object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors.cpp [ 61%] Linking CXX executable testExtendedStereoParsing cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp [ 61%] Linking CXX executable testMolWriter cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 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-O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp [ 62%] Linking CXX executable testMolSupplier cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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-DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/testChemTransforms.cpp [ 63%] Linking CXX executable connectTheDotsTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-ldl [ 63%] Linking CXX executable cdxmlParserCatchTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Built target molfileStereoCatchTest make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o -MF CMakeFiles/testFragCatalog.dir/test1.cpp.o.d -o CMakeFiles/testFragCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/test1.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Built target cdxmlParserCatchTest make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp [ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.cpp [ 63%] Linking CXX executable graphmolMolOpsTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest ../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../lib/libRDKitAlignment.so.1.2023.09.3 ../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Built target graphmolMolOpsTest make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/test1.cpp [ 63%] Linking CXX executable substructTestCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Built target substructTestCatch make -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp [ 63%] Linking CXX executable testGenericGroups cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 63%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp [ 64%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp [ 64%] Linking CXX executable filterCatalogTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 64%] Built target filterCatalogTest make -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 64%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/catch_tests.cpp [ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp [ 64%] Linking CXX executable testFragCatalog cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog ../../../lib/libRDKitFragCatalog.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so [ 64%] Linking CXX executable testSubstructMatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 64%] Built target testFragCatalog make -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix 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-DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp [ 65%] Linking CXX executable chemTransformsTestCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -MF CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o.d -o CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp [ 66%] Linking CXX executable fileParsersTest1 cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so 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CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp [ 66%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Property.cpp [ 66%] Linking CXX executable testMolTransforms cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 66%] Built target testMolTransforms make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 66%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp [ 66%] Linking CXX executable fpGenTestCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/catch_tests.cpp [ 66%] Linking CXX executable fpTestCatch cd 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-I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp [ 66%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK 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CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp [ 67%] Linking CXX executable testMMFFForceFieldHelpersMultiThread cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread 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../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so [ 67%] Linking CXX executable testMMFFForceFieldHelpers cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1 [ 67%] Linking CXX executable fileParsersCatchTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script 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/usr/lib/aarch64-linux-gnu/libmaeparser.so /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o -MF CMakeFiles/testMolCatalog.dir/test1.cpp.o.d -o CMakeFiles/testMolCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/test1.cpp [ 67%] Linking CXX executable testFingerprintGenerators cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp [ 67%] Linking CXX executable testShapeHelpers cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers ../../../lib/libRDKitShapeHelpers.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 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-I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 68%] Built target testFingerprints make -f 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp [ 68%] Linking CXX executable molAlignCatchTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/catch_tests.cpp [ 68%] Linking CXX executable testMolCatalog cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp [ 70%] Linking CXX executable testDistGeomHelpers cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers && 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Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Sort.cpp [ 72%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ 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-I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp [ 74%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/PartitionSet.cpp [ 75%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES && 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-fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp [ 77%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION 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CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o 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../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 77%] Built target testCIPLabeler /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp: In function 'boost::python::api::object {anonymous}::degenerateSmartsQueryMolDictHelper(const RDKit::MCSResult&)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: warning: redundant move in return statement [-Wredundant-move] 646 | return std::move(res); | ~~~~~~~~~^~~~~ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp:646:19: note: remove 'std::move' call [ 77%] Linking CXX executable FMCStest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so 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-Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2023.09.3 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 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cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color=" make -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu 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/usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 81%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp [ 83%] Linking CXX executable testCoulombMat cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall 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../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 83%] Built target testCoulombMat make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 83%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/hashfunctions.cpp /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp: In function 'std::pair {anonymous}::{anonymous}::BCUT2D_list(const RDKit::ROMol&, boost::python::list)': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:437:61: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 437 | python::list atomprops) { | ^ [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/CDXMLParser.cpp [ 84%] Linking CXX executable testAUTOCORR3D cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/normalize.cpp In file included from /usr/include/c++/13/bits/stl_algobase.h:64, from /usr/include/c++/13/string:51, from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/Invariant.h:17, from /build/reproducible-path/rdkit-202309.3/Code/Numerics/Matrix.h:14, from /build/reproducible-path/rdkit-202309.3/Code/Numerics/SquareMatrix.h:14, from /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform3D.h:16, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.h:14, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/testO3AAlign.cpp:11: /usr/include/c++/13/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/testO3AAlign.cpp:643:37: required from here /usr/include/c++/13/bits/stl_pair.h:922:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 922 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp [ 84%] Linking CXX executable testDescriptors cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Built target testDescriptors [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o cd 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-D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp [ 84%] Linking CXX executable testMolAlign cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 84%] Linking CXX executable descriptorsTestCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Built target testMolAlign make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Built target descriptorsTestCatch [ 84%] Linking CXX shared library ../../../lib/libRDKitMolHash.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Built target MolHash make -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/DependInfo.cmake "--color=" make[4]: Entering directory 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/catch_tests.cpp [ 84%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp [ 84%] Linking CXX executable testO3AAlign cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign ../../../lib/libRDKitO3AAlign.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitDistGeomHelpers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 ../../../lib/libRDKitMolAlign.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitDistGeometry.so.1.2023.09.3 ../../../lib/libRDKitForceFieldHelpers.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitForceField.so.1.2023.09.3 ../../../lib/libRDKitOptimizer.so.1.2023.09.3 ../../../lib/libRDKitTrajectory.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Built target testO3AAlign [ 84%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. 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../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o ../../../../lib/libRDKitMolHash.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 84%] Building CXX object 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'/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend [ 84%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinWriter.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect 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-D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -MF CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinDefs.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build [ 85%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/catch_tests.cpp make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/MolStandardize.cpp [ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp [ 85%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Deprotect.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 85%] Built target molHashCatchTest make -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 86%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.cpp [ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 86%] Built target rdMolDescriptors make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolops.cpp In file included from /usr/include/c++/13/bits/stl_algobase.h:64, from /usr/include/c++/13/string:51, from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/Invariant.h:17, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RDKitBase.h:21, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:19, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:16: /usr/include/c++/13/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double; _T2 = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:553:16: required from here /usr/include/c++/13/bits/stl_pair.h:922:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 922 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 86%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2023.09.3 CMakeFiles/Deprotect.dir/Deprotect.cpp.o ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2023.09.3 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 86%] Built target Deprotect make -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/deprotectTest.cpp [ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MolOps.cpp [ 86%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/PositionVariation.cpp [ 86%] Linking CXX executable testReactionFingerprints cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReactionFingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 86%] Built target 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Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp [ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT 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Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp [ 87%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/testMrvToMol.cpp [ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS 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../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 88%] Built target rdDeprotect make -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make 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-isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp [ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawShape.cpp [ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp In file included from /usr/include/c++/13/bits/stl_algo.h:61, from /usr/include/c++/13/algorithm:61, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15: /usr/include/c++/13/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator*, vector > >; _Distance = long int; _Tp = pair; _Compare = __gnu_cxx::__ops::_Iter_less_iter]': /usr/include/c++/13/bits/stl_heap.h:224:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 224 | __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex, | ^~~~~~~~~~~~~ [ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp [ 88%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Validate.cpp In file included from /usr/include/c++/13/bits/stl_algobase.h:64, from /usr/include/c++/13/string:51, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.h:19, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp:13: /usr/include/c++/13/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.cpp:165:47: required from here /usr/include/c++/13/bits/stl_pair.h:922:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 922 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 88%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/RepeatUnit.cpp [ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp In file included from /usr/include/c++/13/algorithm:60: In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]', inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/13/bits/stl_algobase.h:506:30, inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/13/bits/stl_algobase.h:533:42, inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator >; _OI = int*]' at /usr/include/c++/13/bits/stl_algobase.h:540:31, inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator >; _OI = int*]' at /usr/include/c++/13/bits/stl_algobase.h:633:7, inlined from 'static _ForwardIterator std::__uninitialized_copy::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*]' at /usr/include/c++/13/bits/stl_uninitialized.h:147:27, inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*]' at /usr/include/c++/13/bits/stl_uninitialized.h:185:15, inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/13/bits/stl_uninitialized.h:373:37, inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/vector.tcc:814:38, inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1486:19, inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector&, std::vector >&, std::vector >&) const' at /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:113:32: /usr/include/c++/13/bits/stl_algobase.h:437:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=] 437 | __builtin_memmove(__result, __first, sizeof(_Tp) * _Num); | ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/aarch64-linux-gnu/c++/13/bits/c++allocator.h:33, from /usr/include/c++/13/bits/allocator.h:46, from /usr/include/c++/13/list:63, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:16: In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]', inlined from 'static _Tp* std::allocator_traits >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/13/bits/alloc_traits.h:482:28, inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:381:33, inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:378:7, inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator >; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/vector.tcc:805:40, inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator >; = void; _Tp = int; _Alloc = std::allocator]' at /usr/include/c++/13/bits/stl_vector.h:1486:19, inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector&, std::vector >&, std::vector >&) const' at /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:113:32: /usr/include/c++/13/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new' 151 | return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp))); | ^ [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp [ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 89%] Built target testMrvToMol make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend make[4]: Entering directory 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-I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp [ 90%] Linking CXX executable rxnTestCatch cd 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-I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rdmolfiles.cpp [ 90%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK 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-I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp [ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o cd 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-Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ChiralityOps.cpp [ 90%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp [ 91%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 91%] Built target MolEnumerator make -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp In file included from /usr/include/boost/python/override.hpp:13, from /usr/include/boost/python/wrapper.hpp:8, from /usr/include/boost/python/object/value_holder.hpp:15, from /usr/include/boost/python/object/class_metadata.hpp:14, from /usr/include/boost/python/class.hpp:23, from /usr/include/boost/python.hpp:18, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:32: In member function 'boost::python::converter::extract_rvalue::result_type boost::python::converter::extract_rvalue::operator()() const [with T = unsigned int]', inlined from 'boost::python::extract::operator result_type() const [with T = unsigned int]' at /usr/include/boost/python/extract.hpp:136:23, inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: /usr/include/boost/python/extract.hpp:185:11: warning: '*(unsigned int*)((char*)& + offsetof(boost::python::extract,boost::python::extract::.boost::python::converter::extract_rvalue::m_data.boost::python::converter::rvalue_from_python_data::.boost::python::converter::rvalue_from_python_storage::storage))' may be used uninitialized [-Wmaybe-uninitialized] 185 | ); | ^ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: note: '' declared here 48 | size_t num_bbs = python::extract(bbs.attr("__len__")()); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In member function 'boost::python::converter::extract_rvalue::result_type boost::python::converter::extract_rvalue::operator()() const [with T = unsigned int]', inlined from 'boost::python::extract::operator result_type() const [with T = unsigned int]' at /usr/include/boost/python/extract.hpp:136:23, inlined from 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: /usr/include/boost/python/extract.hpp:185:11: warning: '*(unsigned int*)((char*)& + offsetof(boost::python::extract,boost::python::extract::.boost::python::converter::extract_rvalue::m_data.boost::python::converter::rvalue_from_python_data::.boost::python::converter::rvalue_from_python_storage::storage))' may be used uninitialized [-Wmaybe-uninitialized] 185 | ); | ^ /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector > > RDKit::ConvertToVect(T) [with T = boost::python::list]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:48:28: note: '' declared here 48 | size_t num_bbs = python::extract(bbs.attr("__len__")()); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [ 91%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libcairo.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2023.09.3 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 91%] Built target MolDraw2D make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/test1.cpp [ 92%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp [ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Table.cpp [ 93%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 93%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 93%] Built target rdmolops make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 93%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/catch_tests.cpp [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp In file included from /usr/include/c++/13/bits/stl_algobase.h:64, from /usr/include/c++/13/bits/specfun.h:43, from /usr/include/c++/13/cmath:3699, from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/types.h:21, from /build/reproducible-path/rdkit-202309.3/Code/RDGeneral/utils.h:15, from /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/test1.cpp:12: /usr/include/c++/13/bits/stl_pair.h: In instantiation of 'constexpr std::pair::type>::__type, typename std::__strip_reference_wrapper::type>::__type> std::make_pair(_T1&&, _T2&&) [with _T1 = double&; _T2 = double&; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp>::type = double; typename __strip_reference_wrapper::type>::__type = double; typename decay<_Tp2>::type = double]': /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/test1.cpp:1592:46: required from here /usr/include/c++/13/bits/stl_pair.h:922:5: note: parameter passing for argument of type 'std::pair' when C++17 is enabled changed to match C++14 in GCC 10.1 922 | make_pair(_T1&& __x, _T2&& __y) | ^~~~~~~~~ [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK 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Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp [ 93%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp [ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 93%] Built target rdMolEnumerator make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 93%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/freetype2 -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testNormalize.cpp [ 96%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1 /usr/bin/c++ 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../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Built target TautomerQuery make -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testValidate.cpp [ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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-I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Conformer.cpp [ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o ../../../../lib/libRDKitMarvinParser.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Built target rdChemReactions make -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend [ 96%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testCharge.cpp make -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testTautomer.cpp [ 96%] Linking CXX executable molNormalizeTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 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molValidateTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1 [ 96%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 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/usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Built target molValidateTest make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 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-DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/test2.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 96%] Built target rdmolfiles make -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/testFragment.cpp [ 97%] Linking CXX executable molStandardizeTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 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../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/MonomerInfo.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 97%] Built target molStandardizeTest make -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize 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CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/catch_tests.cpp [ 97%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp [ 97%] Linking CXX executable molChargeTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 97%] Built target molChargeTest make -f 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp [ 97%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script 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-Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 97%] Built target rdMolDraw2D make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 97%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 97%] Built target molStandardizeSmallTest make -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends 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-mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Validate.cpp [ 98%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 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/usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2023.09.3 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 98%] Built target ScaffoldNetwork make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 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-DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o 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/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 98%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT 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-ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/Chirality.cpp [ 99%] Linking CXX executable tautomerQueryTestCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make -f 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [ 99%] Built target tautomerQueryTestCatch [ 99%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong 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/usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [100%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS 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Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp [100%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 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../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [100%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated 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-I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp [100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK 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Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.cpp [100%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../rdkit/Chem/rdchem.so 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/usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdchem make -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu 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/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp make -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && 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cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp [100%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o ../../../../lib/libRDKitScaffoldNetwork.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [100%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Metal.cpp make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdScaffoldNetwork [100%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp [100%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target RGroupDecomposition make -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f 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/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap 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-I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp [100%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdGeneralizedSubstruct [100%] Linking CXX executable generalizedSubstructCatch cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 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../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdMolStandardize [100%] Linking CXX executable testRGroupDecompInternals cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall 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../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target testRGroupDecompInternals [100%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl /usr/lib/aarch64-linux-gnu/libmaeparser.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 ../../../lib/libRDKitSubstructLibrary.so.1 ../../../lib/libRDKitSubstructLibrary.so make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target SubstructLibrary make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/depend make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202309.3 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build make[4]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/catch_tests.cpp [100%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp [100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o [100%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_SERIALIZATION_DYN_LINK -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202309.3/External -I/usr/include/python3.11 -I/usr/lib/python3/dist-packages/numpy/core/include -I/build/reproducible-path/rdkit-202309.3/Code -I/build/reproducible-path/rdkit-202309.3/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp [100%] Linking CXX executable rgroupCatchTests cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rgroupCatchTests [100%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o ../../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../../lib/libRDKitga.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdRGroupDecomposition [100%] Linking CXX executable substructLibraryCatchTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [100%] Linking CXX executable substructLibraryTest cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest ../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl [100%] Built target substructLibraryCatchTest make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target substructLibraryTest [100%] Linking CXX executable testRGroupDecomp cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp ../../../lib/libRDKitRGroupDecomposition.so.1.2023.09.3 ../../../lib/libRDKitFMCS.so.1.2023.09.3 ../../../lib/libRDKitga.so.1.2023.09.3 ../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../lib/libRDKitAlignment.so.1.2023.09.3 ../../../lib/libRDKitGenericGroups.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../lib/libRDKitDataStructs.so.1.2023.09.3 ../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target testRGroupDecomp [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so cd /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions -Wl,-z,relro -Wl,-z,now -shared -o ../../../../rdkit/Chem/rdSubstructLibrary.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o ../../../../lib/libRDKitSubstructLibrary.so.1.2023.09.3 ../../../../lib/libRDKitRDBoost.so.1.2023.09.3 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 ../../../../lib/libRDKitMolEnumerator.so.1.2023.09.3 ../../../../lib/libRDKitTautomerQuery.so.1.2023.09.3 ../../../../lib/libRDKitMolStandardize.so.1.2023.09.3 ../../../../lib/libRDKitChemReactions.so.1.2023.09.3 ../../../../lib/libRDKitFilterCatalog.so.1.2023.09.3 ../../../../lib/libRDKitDescriptors.so.1.2023.09.3 ../../../../lib/libRDKitFileParsers.so.1.2023.09.3 ../../../../lib/libRDKitChemTransforms.so.1.2023.09.3 ../../../../lib/libRDKitDepictor.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2023.09.3 ../../../../lib/libRDKitAlignment.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitPartialCharges.so.1.2023.09.3 ../../../../lib/libRDKitMolTransforms.so.1.2023.09.3 ../../../../lib/libRDKitEigenSolvers.so.1.2023.09.3 ../../../../lib/libRDKitFingerprints.so.1.2023.09.3 ../../../../lib/libRDKitSubgraphs.so.1.2023.09.3 ../../../../lib/libRDKitSubstructMatch.so.1.2023.09.3 ../../../../lib/libRDKitGenericGroups.so.1.2023.09.3 ../../../../lib/libRDKitSmilesParse.so.1.2023.09.3 ../../../../lib/libRDKitGraphMol.so.1.2023.09.3 ../../../../lib/libRDKitRDGeometryLib.so.1.2023.09.3 ../../../../lib/libRDKitCatalogs.so.1.2023.09.3 ../../../../lib/libRDKitDataStructs.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libpython3.11.so /usr/lib/aarch64-linux-gnu/libboost_python311.so ../../../../lib/libRDKitRDGeneral.so.1.2023.09.3 /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so /usr/lib/aarch64-linux-gnu/libboost_system.so /usr/lib/aarch64-linux-gnu/libboost_serialization.so /usr/lib/aarch64-linux-gnu/libboost_iostreams.so /usr/lib/aarch64-linux-gnu/libboost_regex.so -ldl make[4]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' [100%] Built target rdSubstructLibrary make[3]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' STATIC_LINK=0 RDKIT_LIBDIR=/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu//lib pg_buildext build /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit build-%v ### PostgreSQL 16 build ### make[2]: Entering directory '/build/reproducible-path/rdkit-202309.3/build-16' gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o rdkit_io.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_io.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o mol_op.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'mol_murckoscaffold': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:406:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 406 | CROMol scaffold = MolMurckoScaffold(mol); | ^~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'mol_nm_hash': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:426:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 426 | char *str = computeNMMolHash(mol, opts); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:428:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 428 | char *res = pnstrdup(str, strlen(str)); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:421:7: warning: unused variable 'len' [-Wunused-variable] 421 | int len; | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'mol_adjust_query_properties': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:441:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 441 | char *data = PG_GETARG_CSTRING(1); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:447:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 447 | Mol *res = deconstructROMolWithQueryProperties(adj); | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'mol_to_svg': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:462:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 462 | char *legend = PG_GETARG_CSTRING(1); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'mol_to_xqmol': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:482:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 482 | bool doEnumeration = PG_GETARG_BOOL(1); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:493:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 493 | XQMol *res = deconstructXQMol(xqm); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'fmcs_smiles': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:512:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 512 | char *res = pnstrdup(str, strlen(str)); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'fmcs_mol2s_transition': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:580:5: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 580 | text *ts = (text *)palloc(ts_size); // new return value | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:600:5: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 600 | char *smiles = makeMolText(mol, &len, false, false); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'fmcs_mols': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:638:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 638 | int32 ts_size = VARHDRSZ + strlen(str); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'fmcs_smiles_transition': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:544:1: warning: control reaches end of non-void function [-Wreturn-type] 544 | } | ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c: In function 'fmcs_mol_transition': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:679:1: warning: control reaches end of non-void function [-Wreturn-type] 679 | } | ^ gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o bfp_op.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_op.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o sfp_op.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/sfp_op.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o rxn_op.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c:134:3: warning: multi-line comment [-Wcomment] 134 | // /* keep compiler quiet - no extra ; */ \ | ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c: In function 'reaction_to_svg': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c:149:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 149 | bool highlightByReactants = PG_GETARG_BOOL(1); | ^~~~ gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o rdkit_gist.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'soergeldistsign': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:219:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 219 | uint8 *as = (uint8 *)VARDATA(a); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'soergeldist': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:238:10: warning: unused variable 'd' [-Wunused-variable] 238 | double d; | ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'gmol_consistent': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:484:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 484 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:496:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 496 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:526:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 526 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'gmol_cmp': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:555:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 555 | int siglen = SIGLEN(a); | ^~~ In file included from /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit.h:44, from /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:40: /usr/include/postgresql/16/server/varatt.h:244:68: warning: pointer targets in passing argument 2 of 'bitstringGrayCmp' differ in signedness [-Wpointer-sign] 244 | #define VARDATA_4B(PTR) (((varattrib_4b *) (PTR))->va_4byte.va_data) | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ | | | char * /usr/include/postgresql/16/server/varatt.h:278:65: note: in expansion of macro 'VARDATA_4B' 278 | #define VARDATA(PTR) VARDATA_4B(PTR) | ^~~~~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:558:41: note: in expansion of macro 'VARDATA' 558 | int retval = bitstringGrayCmp(siglen, VARDATA(a), VARDATA(b)); | ^~~~~~~ In file included from /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:43: /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.h:60:41: note: expected 'uint8 *' {aka 'unsigned char *'} but argument is of type 'char *' 60 | int bitstringGrayCmp(int length, uint8 *bstr1, uint8 *bstr2); | ~~~~~~~^~~~~ /usr/include/postgresql/16/server/varatt.h:244:68: warning: pointer targets in passing argument 3 of 'bitstringGrayCmp' differ in signedness [-Wpointer-sign] 244 | #define VARDATA_4B(PTR) (((varattrib_4b *) (PTR))->va_4byte.va_data) | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~ | | | char * /usr/include/postgresql/16/server/varatt.h:278:65: note: in expansion of macro 'VARDATA_4B' 278 | #define VARDATA(PTR) VARDATA_4B(PTR) | ^~~~~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:558:53: note: in expansion of macro 'VARDATA' 558 | int retval = bitstringGrayCmp(siglen, VARDATA(a), VARDATA(b)); | ^~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.h:60:55: note: expected 'uint8 *' {aka 'unsigned char *'} but argument is of type 'char *' 60 | int bitstringGrayCmp(int length, uint8 *bstr1, uint8 *bstr2); | ~~~~~~~^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:558:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 558 | int retval = bitstringGrayCmp(siglen, VARDATA(a), VARDATA(b)); | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'rdkit_consistent': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:643:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 643 | int siglen = SIGLEN(query); | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:657:5: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 657 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'gsfp_consistent': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:689:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 689 | int sum, overlapSum, overlapN; | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:693:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 693 | int nKey = (ISALLTRUE(key)) | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: In function 'greaction_consistent': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:757:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 757 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:774:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 774 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:800:9: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 800 | uint8 *k = (uint8 *)VARDATA(key); | ^~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c: At top level: /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:631:13: warning: 'rdkit_consistent' defined but not used [-Wunused-function] 631 | static bool rdkit_consistent(GISTENTRY *entry, StrategyNumber strategy, | ^~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:237:12: warning: 'soergeldist' defined but not used [-Wunused-function] 237 | static int soergeldist(bytea *a, bytea *b) { | ^~~~~~~~~~~ gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o bfp_gist.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c: In function 'gbfp_cmp': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c:659:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 659 | GBfp *gbfp2 = (GBfp *)PG_DETOAST_DATUM(y); | ^~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c:662:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 662 | int siglen = GBFP_LEAF_SIGLEN(gbfp1); | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c:665:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 665 | int retval = bitstringGrayCmp(siglen, GET_LEAF_DATA(gbfp1)->fp, GET_LEAF_DATA(gbfp2)->fp); | ^~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c: In function 'merge_key': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c:689:3: warning: ISO C90 forbids mixed declarations and code [-Wdeclaration-after-statement] 689 | int siglen = GBFP_INNER_SIGLEN(result); | ^~~ gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o bfp_gin.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gin.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o low_gist.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/low_gist.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o guc.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/guc.c gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o cache.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/cache.c g++ -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-unused-function -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o adapter.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/adapter.cpp cc1plus: warning: '-Werror=' argument '-Werror=implicit-function-declaration' is not valid for C++ gcc -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o bitstring.o /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c: In function 'bitstringUnion': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c:64:7: warning: unused variable 'i' [-Wunused-variable] 64 | int i; | ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c: In function 'bitstringIntersection': /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c:96:7: warning: unused variable 'i' [-Wunused-variable] 96 | int i; | ^ g++ -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Werror=vla -Wendif-labels -Wmissing-format-attribute -Wimplicit-fallthrough=3 -Wcast-function-type -Wshadow=compatible-local -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Wno-format-truncation -Wno-stringop-truncation -moutline-atomics -g -g -O2 -Werror=implicit-function-declaration -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -fvisibility=hidden -shared -o rdkit.so rdkit_io.o mol_op.o bfp_op.o sfp_op.o rxn_op.o rdkit_gist.o bfp_gist.o bfp_gin.o low_gist.o guc.o cache.o adapter.o bitstring.o -L/usr/lib/aarch64-linux-gnu -Wl,-z,relro -Wl,-z,now -L/usr/lib/llvm-16/lib -Wl,--as-needed -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202309.3=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wdate-time -D_FORTIFY_SOURCE=2 -fvisibility=hidden -L/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu//lib -lRDKitGeneralizedSubstruct -lRDKitMolEnumerator -lRDKitTautomerQuery -lRDKitMolDraw2D -lRDKitMolTransforms -lRDKitMolHash -lRDKitFMCS -lRDKitChemReactions -lRDKitChemTransforms -lRDKitFileParsers -lRDKitSmilesParse -lRDKitFingerprints -lRDKitSubgraphs -lRDKitDescriptors -lRDKitPartialCharges -lRDKitSubstructMatch -lRDKitGraphMol -lRDKitEigenSolvers -lRDKitDataStructs -lRDKitDepictor -lRDKitRDGeometryLib -lRDKitRDGeneral -pthread sed -e's/@RDKIT_PG_MOL_GIST_SORTSUPPORT@/FUNCTION 11 gmol_sortsupport (internal),/' \ -e's/@RDKIT_PG_QMOL_GIST_SORTSUPPORT@/FUNCTION 11 gmol_sortsupport (internal),/' \ -e's/@RDKIT_PG_BFP_GIST_SORTSUPPORT@/FUNCTION 11 gbfp_sortsupport (internal),/' \ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit.sql.in > rdkit--4.4.0.sql /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o rdkit_io.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_io.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o mol_op.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:544:1: warning: non-void function does not return a value in all control paths [-Wreturn-type] } ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/mol_op.c:679:1: warning: non-void function does not return a value in all control paths [-Wreturn-type] } ^ 2 warnings generated. /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o bfp_op.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_op.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o sfp_op.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/sfp_op.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o rxn_op.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c:100:37: warning: passing arguments to 'ReactionSubstructFP' without a prototype is deprecated in all versions of C and is not supported in C2x [-Wdeprecated-non-prototype] PG_RETURN_BOOL(ReactionSubstructFP(rxn, rxn2)); ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rxn_op.c:115:37: warning: passing arguments to 'ReactionSubstructFP' without a prototype is deprecated in all versions of C and is not supported in C2x [-Wdeprecated-non-prototype] PG_RETURN_BOOL(ReactionSubstructFP(rxn2, rxn)); ^ 2 warnings generated. /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o rdkit_gist.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:558:41: warning: passing 'char[]' to parameter of type 'uint8 *' (aka 'unsigned char *') converts between pointers to integer types where one is of the unique plain 'char' type and the other is not [-Wpointer-sign] int retval = bitstringGrayCmp(siglen, VARDATA(a), VARDATA(b)); ^~~~~~~~~~ /usr/include/postgresql/16/server/varatt.h:278:27: note: expanded from macro 'VARDATA' #define VARDATA(PTR) VARDATA_4B(PTR) ^~~~~~~~~~~~~~~ /usr/include/postgresql/16/server/varatt.h:244:26: note: expanded from macro 'VARDATA_4B' #define VARDATA_4B(PTR) (((varattrib_4b *) (PTR))->va_4byte.va_data) ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.h:60:41: note: passing argument to parameter 'bstr1' here int bitstringGrayCmp(int length, uint8 *bstr1, uint8 *bstr2); ^ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit_gist.c:558:53: warning: passing 'char[]' to parameter of type 'uint8 *' (aka 'unsigned char *') converts between pointers to integer types where one is of the unique plain 'char' type and the other is not [-Wpointer-sign] int retval = bitstringGrayCmp(siglen, VARDATA(a), VARDATA(b)); ^~~~~~~~~~ /usr/include/postgresql/16/server/varatt.h:278:27: note: expanded from macro 'VARDATA' #define VARDATA(PTR) VARDATA_4B(PTR) ^~~~~~~~~~~~~~~ /usr/include/postgresql/16/server/varatt.h:244:26: note: expanded from macro 'VARDATA_4B' #define VARDATA_4B(PTR) (((varattrib_4b *) (PTR))->va_4byte.va_data) ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.h:60:55: note: passing argument to parameter 'bstr2' here int bitstringGrayCmp(int length, uint8 *bstr1, uint8 *bstr2); ^ 2 warnings generated. /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o bfp_gist.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gist.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o bfp_gin.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bfp_gin.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o low_gist.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/low_gist.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o guc.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/guc.c /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o cache.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/cache.c /usr/bin/clang-16 -std=c++17 -xc++ -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -emit-llvm -c -o adapter.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/adapter.cpp /usr/lib/llvm-16/bin/opt -module-summary -f adapter.bc -o adapter.bc /usr/bin/clang-16 -Wno-ignored-attributes -fno-strict-aliasing -fwrapv -fexcess-precision=standard -Xclang -no-opaque-pointers -Wno-unused-command-line-argument -Wno-compound-token-split-by-macro -O2 -I/usr/local/include -I/build/reproducible-path/rdkit-202309.3/Code -DRDKITVER='"007300"' -DRDK_TOOLKIT_VERSION='"2022.09.01"' -I. -I/build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit -I/usr/include/postgresql/16/server -I/usr/include/postgresql/internal -Wdate-time -D_FORTIFY_SOURCE=2 -D_GNU_SOURCE -I/usr/include/libxml2 -flto=thin -emit-llvm -c -o bitstring.bc /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/bitstring.c make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/build-16' ### End 16 build ### (cd /build/reproducible-path/rdkit-202309.3/Code; doxygen doxygen/doxygen.config) warning: Tag 'TCL_SUBST' at line 213 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'SYMBOL_CACHE_SIZE' at line 337 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'SHOW_DIRECTORIES' at line 557 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'COLS_IN_ALPHA_INDEX' at line 869 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_TIMESTAMP' at line 965 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_ALIGN_MEMBERS' at line 971 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'USE_INLINE_TREES' at line 1162 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'FORMULA_TRANSPARENT' at line 1189 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'LATEX_SOURCE_CODE' at line 1327 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_SCHEMA' at line 1425 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_DTD' at line 1431 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'PERL_PATH' at line 1596 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'CLASS_DIAGRAMS' at line 1608 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'MSCGEN_PATH' at line 1617 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTNAME' at line 1647 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTSIZE' at line 1652 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_TRANSPARENT' at line 1792 of file 'doxygen/doxygen.config' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: argument 'a4wide' for option PAPER_TYPE is not a valid enum value Using the default: a4! warning: doxygen no longer ships with the FreeSans font. You may want to clear or change DOT_FONTNAME. Otherwise you run the risk that the wrong font is being used for dot generated graphs. Doxygen version used: 1.9.8 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... 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Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/EEM.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/GETAWAY.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/GETAWAY.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolData3Ddescriptors.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors3D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolDescriptors3D.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolSurf.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MolSurf.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MORSE.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MORSE.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MQN.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/MQN.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/OxidationNumbers.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/OxidationNumbers.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PBF.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PBF.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PMI.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/PMI.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Property.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Property.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/RDF.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/RDF.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/RegisterDescriptor.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/RegisterDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/USRDescriptor.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/USRDescriptor.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/WHIM.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/WHIM.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/details.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/details.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DetermineBonds/DetermineBonds.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DetermineBonds/DetermineBonds.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Embedder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/CDXMLParser.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/CDXMLParser.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParsers.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParsers.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParserUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParserUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/GeneralFileReader.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/GeneralFileReader.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileStereochem.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolFileStereochem.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupParsing.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupParsing.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupWriting.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSGroupWriting.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSupplier.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolWriters.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MolWriters.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PNGParser.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/PNGParser.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/ProximityBonds.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/ProximityBonds.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceParsers.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceParsers.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceWriters.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceWriters.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalog.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalog.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Filters.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Filters.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MACCS.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MACCS.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganFingerprints.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganFingerprints.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/RDKitFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Composition2N.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Composition2N.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/DebugTrace.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/DebugTrace.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/DuplicatedSeedCache.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/FMCS.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/FMCS.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Graph.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Graph.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/MatchTable.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/MatchTable.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/MaximumCommonSubgraph.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Seed.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Seed.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SeedSet.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SeedSet.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SubstructMatchCustom.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SubstructMatchCustom.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SubstructureCache.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/SubstructureCache.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Target.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Target.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/TargetMatch.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/TargetMatch.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/FFConvenience.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragCatParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/FragFPGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/XQMol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GenericGroups/GenericGroups.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GenericGroups/GenericGroups.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GraphMol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/GraphMol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinDefs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinDefs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinParser.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MarvinParse/MarvinParser.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/O3AAlignMolecules.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolBundle.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolBundle.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalog.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalog.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/MolCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/FeatureParser.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Graph/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:233: warning: unbalanced grouping commands Mol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawAnnotation.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawShape.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawShape.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawText.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextCairo.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFT.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFT.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTCairo.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTJS.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextFTSVG.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextJS.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextJS.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextNotFT.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawTextSVG.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Fonts/roboto_regular.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Fonts/telex_regular.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDr/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:440: warning: unbalanced grouping commands /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:692: warning: unbalanced grouping commands aw2D/MolDraw2DDetails.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DHelpers.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DJS.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/DrawTextFTQt.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/DrawTextQt.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Qt/MolDraw2DQt.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/StringRect.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/StringRect.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/LinkNode.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/LinkNode.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/mf.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/mf.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/MolHash.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/MolHash.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/nmmolhash.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/nmmolhash.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/details.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/details.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/MolInterchange.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/MolInterchange.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolPickler.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Charge.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Charge.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Fragment.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Fragment.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Metal.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Metal.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/MolStandardize.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/MolStandardize.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Normalize.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Normalize.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Tautomer.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Tautomer.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Validate.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Validate.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/MolTransforms.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/MolTransforms.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MonomerInfo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MonomerInfo.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/new_canon.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/new_canon.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerCharges.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerCharges.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/GasteigerParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/PeriodicTable.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryAtom.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryAtom.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryBond.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryBond.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/PartitionSet.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/PartitionSet.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalClusterOptions.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalDetails.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalDetails.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalMCES.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalMCES.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalOptions.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalOptions.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalResult.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/RascalResult.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RDKitBase.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RDKitBase.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RDKitQueries.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RDKitQueries.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/ReducedGraphs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Resonance.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Resonance.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupCore.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupData.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupData.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecompData.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition//build/reproducible-path/rdkit-202309.3/Code/GraphMol/ROMol.h:416: warning: unbalanced grouping commands RGroupDecompParams.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupGa.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupMatch.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupScore.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RingInfo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RingInfo.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Rings.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Rings.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ROMol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ROMol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RWMol.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RWMol.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SanitException.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SanitException.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/detail.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/detail.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/ShapeEncoder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/ShapeUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNAttribs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNAttribs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParse.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParse.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParseOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/SLNParseOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/primes.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/primes.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmartsWrite.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmartsWrite.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParse.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParse.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesParseOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StereoGroup.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StereoGroup.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/Pattern.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/Pattern.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/ReCharge.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/ReCharge.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/Stereo.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/Stereo.h... 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Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/StructChecker/Utilites.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/Subgraphs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/Subgraphs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Subgraphs/SubgraphUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstanceGroup.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstanceGroup.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/PatternFactory.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrary.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/TautomerQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/TautomerQuery.h... 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Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/base64.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVect.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVect.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVects.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVects.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVectUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitVectUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DatastructsException.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DatastructsException.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DatastructsStreamOps.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DatastructsStreamOps.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DiscreteDistMat.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DiscreteDistMat.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DiscreteValueVect.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/DiscreteValueVect.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/ExplicitBitVect.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/ExplicitBitVect.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DataStructs/FPBReader.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DataStructs/FPBReader.h... 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Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/GreaterEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/GreaterQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/GreaterQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/LessEqualQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/LessEqualQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/LessQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/LessQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/NullQueryAlgebra.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/NullQueryAlgebra.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/OrQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/OrQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/Query.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/Query.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/QueryObjects.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/QueryObjects.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/RangeQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/RangeQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/SetQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/SetQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Query/XOrQuery.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Query/XOrQuery.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/CorrMatGenerator.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/CorrMatGenerator.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/InfoBitRanker.h... 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Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/boost_numpy.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/RDBoost/import_array.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/import_array.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/RDBoost/pyint_api.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/pyint_api.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/RDBoost/PySequenceHolder.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/PySequenceHolder.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/RDBoost/python.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/python.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/RDBoost/python_streambuf.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/RDBoost/python_streambuf.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/BoundsMatrix.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/BoundsMatrix.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralSet.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralSet.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralViolationContrib.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/ChiralViolationContrib.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistGeomUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistGeomUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistViolationContrib.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistViolationContrib.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/FourthDimContrib.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/FourthDimContrib.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/DistGeom/TriangleSmooth.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/DistGeom/TriangleSmooth.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/Contrib.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/Contrib.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/OopBend.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/OopBend.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Params.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleBend.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleBend.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/BondStretch.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/BondStretch.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Contribs.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Contribs.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/DistanceConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/DistanceConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Nonbonded.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Nonbonded.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Params.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Params.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionAngle.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionAngle.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionConstraint.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/TorsionConstraint.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/AlignPoints.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/AlignPoints.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/Conrec.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/Conrec.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/EigenSolvers/PowerEigenSolver.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/Matrix.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/Matrix.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/BFGSOpt.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/Optimizer/BFGSOpt.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/SquareMatrix.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/SquareMatrix.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/SymmMatrix.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/SymmMatrix.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Numerics/Vector.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Numerics/Vector.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/Grid3D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/Grid3D.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/GridUtils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/GridUtils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/point.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/point.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform2D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform2D.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform3D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/Transform3D.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/UniformGrid3D.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/UniformGrid3D.h... Pr/build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:62: warning: documented symbol 'for experimental torsion angle RDKit::DGeomHelpers::preferences' was not declared or defined. /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:1082: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:1098: warning: documented symbol 'modifies molecule in RDKit::MolOps::place' was not declared or defined. /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h:93: warning: no matching file member found for RDKIT_RGROUPDECOMPOSITION_EXPORT std::string RDKit::toJSON(const std::map &rgr, const std::string &prefix="") Possible candidates: 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupRow &rgr, const std::string &prefix="")' at line 81 of file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupRows &rgr, const std::string &prefix="")' at line 85 of file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h 'RDKIT_RGROUPDECOMPOSITION_EXPORT std::string toJSON(const RGroupColumn &rgr, const std::string &prefix="")' at line 89 of file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/RGroupUtils.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:534: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' eprocessing /build/reproducible-path/rdkit-202309.3/Code/Geometry/Utils.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Geometry/Utils.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/Features/Feature.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/Features/Feature.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/ChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/ChemicalFeature.h... Preprocessing /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/FreeChemicalFeature.h... Parsing file /build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/FreeChemicalFeature.h... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file Catalog.h... Generating code for file CatalogEntry.h... Generating code for file CatalogParams.h... Generating code for file ChemicalFeature.h... Generating code for file FreeChemicalFeature.h... Generating code for file MetricFuncs.h... Generating code for file MetricMatrixCalc.h... Generating code for file base64.h... Generating code for file BitOps.h... Generating code for file BitVect.h... Generating code for file BitVects.h... Generating code for file BitVectUtils.h... Generating code for file DatastructsException.h... Generating code for file DatastructsStreamOps.h... Generating code for file DiscreteDistMat.h... Generating code for file DiscreteValueVect.h... Generating code for file ExplicitBitVect.h... Generating code for file FPBReader.h... Generating code for file MultiFPBReader.h... Generating code for file SparseBitVect.h... Generating code for file SparseIntVect.h... Generating code for file BoundsMatrix.h... Generating code for file ChiralSet.h... Generating code for file ChiralViolationContrib.h... Generating code for file DistGeomUtils.h... Generating code for file DistViolationContrib.h... Generating code for file FourthDimContrib.h... Generating code for file TriangleSmooth.h... Generating code for file Feature.h... Generating code for file Contrib.h... Generating code for file ForceField.h... Generating code for file OopBend.h... Generating code for file StretchBend.h... Generating code for file AngleBend.h... Generating code for file AngleBend.h... Generating code for file AngleConstraint.h... Generating code for file AngleConstraint.h... Generating code for file BondStretch.h... Generating code for file BondStretch.h... Generating code for file Contribs.h... Generating code for file Contribs.h... Generating code for file DistanceConstraint.h... Generating code for file DistanceConstraint.h... Generating code for file Inversion.h... Generating code for file Nonbonded.h... Generating code for file Nonbonded.h... Generating code for file Params.h... Generating code for file Params.h... Generating code for file PositionConstraint.h... Generating code for file PositionConstraint.h... Generating code for file TorsionAngle.h... Generating code for file TorsionAngle.h... Generating code for file TorsionConstraint.h... Generating code for file TorsionConstraint.h... Generating code for file Grid3D.h... Generating code for file GridUtils.h... Generating code for file point.h... Generating code for file Transform.h... Generating code for file Transform2D.h... Generating code for file Transform3D.h... Generating code for file UniformGrid3D.h... Generating code for file Utils.h... Generating code for file Abbreviations.h... Generating code for file Atom.h... Generating code for file atomic_data.h... Generating code for file AtomIterators.h... Generating code for file Bond.h... Generating code for file BondIterators.h... Generating code for file Canon.h... Generating code for file CartesianProduct.h... Generating code for file Enumerate.h... Generating code for file EnumerateBase.h... Generating code for file EnumerateTypes.h... Generating code for file EnumerationPickler.h... Generating code for file EnumerationStrategyBase.h... Generating code for file EvenSamplePairs.h... Generating code for file RandomSample.h... Generating code for file RandomSampleAllBBs.h... Generating code for file PreprocessRxn.h... Generating code for file Reaction.h... Generating code for file ReactionFingerprints.h... Generating code for file ReactionParser.h... Generating code for file ReactionPickler.h... Generating code for file ReactionRunner.h... Generating code for file ReactionUtils.h... Generating code for file SanitizeRxn.h... Generating code for file ChemTransforms.h... Generating code for file MolFragmenter.h... Generating code for file Chirality.h... Generating code for file CIPLabeler.h... Generating code for file CIPMol.h... Generating code for file Configuration.h... Generating code for file Sp2Bond.h... Generating code for file Tetrahedral.h... Generating code for file Descriptor.h... Generating code for file Digraph.h... Generating code for file Edge.h... Generating code for file Mancude.h... Generating code for file Node.h... Generating code for file Priority.h... Generating code for file Pairlist.h... Generating code for file Rule1a.h... Generating code for file Rule1b.h... Generating code for file Rule2.h... Generating code for file Rule3.h... Generating code for file Rule4a.h... Generating code for file Rule4b.h... Generating code for file Rule4c.h... Generating code for file Rule5.h... Generating code for file Rule5New.h... Generating code for file Rule6.h... Generating code for file Rules.h... Generating code for file SequenceRule.h... Generating code for file Sort.h... Generating code for file TooManyNodesException.h... Generating code for file Conformer.h... Generating code for file DepictUtils.h... Generating code for file EmbeddedFrag.h... Generating code for file RDDepictor.h... Generating code for file Templates.h... Generating code for file TemplateSmiles.h... Generating code for file Deprotect.h... Generating code for file AtomFeat.h... Generating code for file AUTOCORR2D.h... Generating code for file AUTOCORR3D.h... Generating code for file BCUT.h... Generating code for file ConnectivityDescriptors.h... Generating code for file CoulombMat.h... Generating code for file Crippen.h... Generating code for file Data3Ddescriptors.h... Generating code for file EEM.h... Generating code for file GETAWAY.h... Generating code for file Lipinski.h... Generating code for file MolData3Ddescriptors.h... Generating code for file MolDescriptors.h... Generating code for file MolDescriptors3D.h... Generating code for file MolSurf.h... Generating code for file MORSE.h... Generating code for file MQN.h... Generating code for file OxidationNumbers.h... Generating code for file PBF.h... Generating code for file PMI.h... Generating code for file Property.h... Generating code for file RDF.h... Generating code for file RegisterDescriptor.h... Generating code for file USRDescriptor.h... Generating code for file WHIM.h... Generating code for file details.h... Generating code for file details.h... Generating code for file DetermineBonds.h... Generating code for file BoundsMatrixBuilder.h... Generating code for file Embedder.h... Generating code for file CDXMLParser.h... Generating code for file FileParsers.h... Generating code for file FileParserUtils.h... Generating code for file GeneralFileReader.h... Generating code for file MolFileStereochem.h... Generating code for file MolSGroupParsing.h... Generating code for file MolSGroupWriting.h... Generating code for file MolSupplier.h... Generating code for file MolWriters.h... Generating code for file MultithreadedMolSupplier.h... Generating code for file MultithreadedSDMolSupplier.h... Generating code for file MultithreadedSmilesMolSupplier.h... Generating code for file PNGParser.h... Generating code for file ProximityBonds.h... Generating code for file SequenceParsers.h... Generating code for file SequenceWriters.h... Generating code for file FilterCatalog.h... Generating code for file FilterCatalogEntry.h... Generating code for file FilterMatcherBase.h... Generating code for file FilterMatchers.h... Generating code for file Filters.h... Generating code for file FunctionalGroupHierarchy.h... Generating code for file AtomPairGenerator.h... Generating code for file AtomPairs.h... Generating code for file FingerprintGenerator.h... Generating code for file Fingerprints.h... Generating code for file FingerprintUtil.h... Generating code for file MACCS.h... Generating code for file MHFP.h... Generating code for file MorganFingerprints.h... Generating code for file MorganGenerator.h... Generating code for file RDKitFPGenerator.h... Generating code for file TopologicalTorsionGenerator.h... Generating code for file Composition2N.h... Generating code for file DebugTrace.h... Generating code for file DuplicatedSeedCache.h... Generating code for file FMCS.h... Generating code for file Graph.h... Generating code for file MatchTable.h... Generating code for file MaximumCommonSubgraph.h... Generating code for file Seed.h... Generating code for file SeedSet.h... Generating code for file SubstructMatchCustom.h... Generating code for file SubstructureCache.h... Generating code for file Target.h... Generating code for file TargetMatch.h... Generating code for file TorsionAngleM6.h... Generating code for file TorsionPreferences.h... Generating code for file FFConvenience.h... Generating code for file MMFF.h... Generating code for file AtomTyper.h... Generating code for file AtomTyper.h... Generating code for file Builder.h... Generating code for file Builder.h... Generating code for file UFF.h... Generating code for file FragCatalogEntry.h... Generating code for file FragCatalogUtils.h... Generating code for file FragCatGenerator.h... Generating code for file FragCatParams.h... Generating code for file FragFPGenerator.h... Generating code for file XQMol.h... Generating code for file GenericGroups.h... Generating code for file GraphMol.h... Generating code for file MarvinDefs.h... Generating code for file MarvinParser.h... Generating code for file MMPA.h... Generating code for file AlignMolecules.h... Generating code for file O3AAlignMolecules.h... Generating code for file MolBundle.h... Generating code for file MolCatalog.h... Generating code for file MolCatalogEntry.h... Generating code for file MolCatalogParams.h... Generating code for file FeatureParser.h... Generating code for file MolChemicalFeature.h... Generating code for file MolChemicalFeatureDef.h... Generating code for file MolChemicalFeatureFactory.h... Generating code for file AtomSymbol.h... Generating code for file DrawAnnotation.h... Generating code for file DrawMol.h... Generating code for file DrawMolMCH.h... Generating code for file DrawMolMCHCircleAndLine.h... Generating code for file DrawMolMCHLasso.h... Generating code for file DrawShape.h... Generating code for file DrawText.h... Generating code for file DrawTextCairo.h... Generating code for file DrawTextFT.h... Generating code for file DrawTextFTCairo.h... Generating code for file DrawTextFTJS.h... Generating code for file DrawTextFTSVG.h... Generating code for file DrawTextJS.h... Generating code for file DrawTextNotFT.h... Generating code for file DrawTextSVG.h... Generating code for file roboto_regular.h... Generating code for file telex_regular.h... Generating code for file MolDraw2D.h... Generating code for file MolDraw2DCairo.h... Generating code for file MolDraw2DDetails.h... Generating code for file MolDraw2DHelpers.h... Generating code for file MolDraw2DJS.h... Generating code for file MolDraw2DSVG.h... Generating code for file MolDraw2DUtils.h... Generating code for file MolDraw2Dwx.h... Generating code for file DrawTextFTQt.h... Generating code for file DrawTextQt.h... Generating code for file MolDraw2DQt.h... Generating code for file StringRect.h... Generating code for file LinkNode.h... Generating code for file MolEnumerator.h... Generating code for file mf.h... Generating code for file MolHash.h... Generating code for file nmmolhash.h... Generating code for file MolInterchange.h... Generating code for file MolOps.h... Generating code for file MolPickler.h... Generating code for file AcidBaseCatalogEntry.h... Generating code for file AcidBaseCatalogParams.h... Generating code for file AcidBaseCatalogUtils.h... Generating code for file Charge.h... Generating code for file Fragment.h... Generating code for file FragmentCatalogEntry.h... Generating code for file FragmentCatalogParams.h... Generating code for file FragmentCatalogUtils.h... Generating code for file Metal.h... Generating code for file MolStandardize.h... Generating code for file Normalize.h... Generating code for file TautomerCatalogEntry.h... Generating code for file TautomerCatalogParams.h... Generating code for file TautomerCatalogUtils.h... Generating code for file TransformCatalogEntry.h... Generating code for file TransformCatalogParams.h... Generating code for file TransformCatalogUtils.h... Generating code for file Validate.h... Generating code for file MolTransforms.h... Generating code for file MonomerInfo.h... Generating code for file new_canon.h... Generating code for file GasteigerCharges.h... Generating code for file GasteigerParams.h... Generating code for file PeriodicTable.h... Generating code for file QueryAtom.h... Generating code for file QueryBond.h... Generating code for file QueryOps.h... Generating code for file PartitionSet.h... Generating code for file RascalClusterOptions.h... Generating code for file RascalDetails.h... Generating code for file RascalMCES.h... Generating code for file RascalOptions.h... Generating code for file RascalResult.h... Generating code for file RDKitBase.h... Generating code for file RDKitQueries.h... Generating code for file ReducedGraphs.h... Generating code for file Resonance.h... Generating code for file RGroupCore.h... Generating code for file RGroupData.h... Generating code for file RGroupDecomp.h... Generating code for file RGroupDecompData.h... Generating code for file RGroupDecompParams.h... Generating code for file RGroupFingerprintScore.h... Generating code for file RGroupGa.h... Generating code for file RGroupMatch.h... Generating code for file RGroupScore.h... Generating code for file RGroupUtils.h... Generating code for file RingInfo.h... Generating code for file Rings.h... Generating code for file ROMol.h... Generating code for file RWMol.h... Generating code for file SanitException.h... Generating code for file detail.h... Generating code for file ScaffoldNetwork.h... Generating code for file ShapeEncoder.h... Generating code for file ShapeUtils.h... Generating code for file SLNAttribs.h... Generating code for file SLNParse.h... Generating code for file SLNParseOps.h... Generating code for file primes.h... Generating code for file SmartsWrite.h... Generating code for file SmilesParse.h... Generating code for file SmilesParseOps.h... Generating code for file SmilesWrite.h... Generating code for file StereoGroup.h... Generating code for file Pattern.h... Generating code for file ReCharge.h... Generating code for file Stereo.h... Generating code for file StripSmallFragments.h... Generating code for file StructChecker.h... Generating code for file StructCheckerOptions.h... Generating code for file Tautomer.h... Generating code for file Tautomer.h... Generating code for file Utilites.h... Generating code for file Subgraphs.h... Generating code for file SubgraphUtils.h... Generating code for file SubstanceGroup.h... Generating code for file SubstructMatch.h... Generating code for file SubstructUtils.h... Generating code for file PatternFactory.h... Generating code for file SubstructLibrary.h... Generating code for file SubstructLibrarySerialization.h... Generating code for file TautomerQuery.h... Generating code for file Snapshot.h... Generating code for file Trajectory.h... Generating code for file CorrMatGenerator.h... Generating code for file InfoBitRanker.h... Generating code for file InfoGainFuncs.h... Generating code for file AlignPoints.h... Generating code for file Conrec.h... Generating code for file PowerEigenSolver.h... Generating code for file Matrix.h... Generating code for file BFGSOpt.h... Generating code for file SquareMatrix.h... Generating code for file SymmMatrix.h... Generating code for file Vector.h... Generating code for file AndQuery.h... Generating code for file EqualityQuery.h... Generating code for file GreaterEqualQuery.h... Generating code for file GreaterQuery.h... Generating code for file LessEqualQuery.h... Generating code for file LessQuery.h... Generating code for file NullQueryAlgebra.h... Generating code for file OrQuery.h... Generating code for file Query.h... Generating code for file QueryObjects.h... Generating code for file RangeQuery.h... Generating code for file SetQuery.h... Generating code for file XOrQuery.h... Generating code for file boost_numpy.h... Generating code for file import_array.h... Generating code for file pyint_api.h... Generating code for file PySequenceHolder.h... Generating code for file python.h... Generating code for file python_streambuf.h... Generating code for file BadFileException.h... Generating code for file BoostEndInclude.h... Generating code for file BoostStartInclude.h... Generating code for file ConcurrentQueue.h... Generating code for file Dict.h... Generating code for file Exceptions.h... Generating code for file export.h... Generating code for file FileParseException.h... Generating code for file hanoiSort.h... Generating code for file Invariant.h... Generating code for file LocaleSwitcher.h... Generating code for file Ranking.h... Generating code for file RDAny.h... Generating code for file RDConfig.h... Generating code for file RDExportMacros.h... Generating code for file RDLog.h... Generating code for file RDProps.h... Generating code for file RDThreads.h... Generating code for file RDValue-doublemagic.h... Generating code for file RDValue-taggedunion.h... Generating code for file RDValue.h... Generating code for file StreamOps.h... Generating code for file types.h... Generating code for file utils.h... Generating code for file versions.h... Generating code for file DistPicker.h... Generating code for file HierarchicalClusterPicker.h... Generating code for file LeaderPicker.h... Generating code for file MaxMinPicker.h... Generating file documentation... Generating docs for file Catalog.h... Generating docs for file CatalogEntry.h... Generating docs for file CatalogParams.h... Generating docs for file ChemicalFeature.h... Generating docs for file FreeChemicalFeature.h... Generating docs f/build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitOps.h:188: warning: found at different nesting level (7) than expected (4) /build/reproducible-path/rdkit-202309.3/Code/DataStructs/BitOps.h:189: warning: end of comment block while expecting command or file MetricFuncs.h... Generating docs for file MetricMatrixCalc.h... Generating docs for file base64.h... Generating docs for file BitOps.h... Generating docs for file BitVect.h... Generating docs for file BitVects.h... Generating docs for file BitVectUtils.h... Generating docs for file DatastructsException.h... Generating docs for file DatastructsStreamOps.h... Generating docs for file DiscreteDistMat.h... Generating docs for file DiscreteValueVect.h... Generating docs for file ExplicitBitVect.h... Generating docs for file FPBReader.h... Generating docs for file MultiFPBReader.h... Generating docs for file SparseBitVect.h... Generating docs for file SparseIntVect.h... 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Generating do/build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:534: warning: Found unknown command '\overloadquery' cs for file QueryBond.h... Generating docs for file QueryOps.h... Generating docs for file PartitionSet.h... Generating docs for file RascalClusterOptions.h... Generating docs for file RascalDetails.h... Generating docs for file RascalMCES.h... Generating docs for file RascalOptions.h... Generating docs for file RascalResult.h... Generating docs for file RDKitBase.h... Generating docs for file RDKitQueries.h... Generating docs for file ReducedGraphs.h... Generating docs for file Resonance.h... Generating docs for file RGroupCore.h... Generating docs for file RGroupData.h... Generating docs for file RGroupDecomp.h... Generating docs for file RGroupDecompData.h... Generating docs for file RGroupDecompParams.h... 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Generating docs for file AlignPoints.h... Generating docs for file Conrec.h... Generating docs for file PowerEigenSolver.h... Generating docs for file Matrix.h... Generating docs for file BFGSOpt.h... Generating docs for file SquareMatrix.h... Generating docs for file SymmMatrix.h... Generating docs for file Vector.h... Generating docs for file AndQuery.h... Generating docs for file EqualityQuery.h... Generating docs for file GreaterEqualQuery.h... Generating docs for file GreaterQuery.h... Generating docs for file LessEqualQuery.h... Generating docs for file LessQuery.h... Generating docs for file NullQueryAlgebra.h... Generating docs for file OrQuery.h... Generating docs for file Query.h... Generating docs for file QueryObjects.h... Generating docs for file RangeQuery.h... Generating docs for file SetQuery.h... Generating docs for file XOrQuery.h... Generating docs for file boost_numpy.h... Generating docs for file import_array.h... Generating docs for file pyint_api.h... Generating docs for file PySequenceHolder.h... Generating docs for file python.h... Generating docs for file python_streambuf.h... Generating docs for file BadFileException.h... Generating docs for file BoostEndInclude.h... Generating docs for file BoostStartInclude.h... Generating docs for file ConcurrentQueue.h... Generating docs for file Dict.h... Generating docs for file Exceptions.h... Generating docs for file export.h... G/build/reproducible-path/rdkit-202309.3/Code/DistGeom/DistGeomUtils.h:95: warning: The following parameter of DistGeom::constructForceField(const BoundsMatrix &mmat, RDGeom::PointPtrVect &positions, const VECT_CHIRALSET &csets, double weightChiral=1.0, double weightFourthDim=0.1, std::map< std::pair< int, int >, double > *extraWeights=nullptr, double basinSizeTol=5.0, boost::dynamic_bitset<> *fixedPts=nullptr) is not documented: parameter 'fixedPts' /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.h:159: warning: argument 'snapshotFreq' of command @param is not found in the argument list of ForceFields::ForceField::minimize(unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.h:159: warning: argument 'snapshotVect' of command @param is not found in the argument list of ForceFields::ForceField::minimize(unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) /build/reproducible-path/rdkit-202309.3/Code/ForceField/ForceField.h:144: warning: The following parameters of ForceFields::ForceField::minimize(unsigned int snapshotFreq, RDKit::SnapshotVect *snapshotVect, unsigned int maxIts=200, double forceTol=1e-4, double energyTol=1e-6) are not documented: parameter 'snapshotFreq' parameter 'snapshotVect' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.h:31: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::AngleBendContrib::AngleBendContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, const MMFFAngle *mmffAngleParams, const MMFFProp *mmffPropParamsCentralAtom) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleBend.h:31: warning: The following parameters of ForceFields::MMFF::AngleBendContrib::AngleBendContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, const MMFFAngle *mmffAngleParams, const MMFFProp *mmffPropParamsCentralAtom) are not documented: parameter 'mmffAngleParams' parameter 'mmffPropParamsCentralAtom' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.h:28: warning: argument 'minAngle' of command @param is not found in the argument list of ForceFields::MMFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.h:28: warning: argument 'maxAngle' of command @param is not found in the argument list of ForceFields::MMFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/AngleConstraint.h:28: warning: The following parameters of ForceFields::MMFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) are not documented: parameter 'minAngleDeg' parameter 'maxAngleDeg' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'bondType' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'end1Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h:28: warning: argument 'end2Params' of command @param is not found in the argument list of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/BondStretch.h:28: warning: The following parameter of ForceFields::MMFF::BondStretchContrib::BondStretchContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const MMFFBond *mmffBondParams) is not documented: parameter 'mmffBondParams' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.h:54: warning: The following parameters of ForceFields::MMFF::EleContrib::EleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, double chargeTerm, std::uint8_t dielModel, bool is1_4) are not documented: parameter 'chargeTerm' parameter 'dielModel' parameter 'is1_4' enerating docs for file FileParseException.h... Generating docs for file hanoiSort.h... Generating docs for file Invariant.h... Generating docs for file LocaleSwitcher.h... Generating docs for file Ranking.h... Generating docs for file RDAny.h... Generating docs for file RDConfig.h... Generating docs for file RDExportMacros.h... Generating docs for file RDLog.h... Generating docs for file RDProps.h... Generating docs for file RDThreads.h... Generating docs for file RDValue-doublemagic.h... Generating docs for file RDValue-taggedunion.h... Generating docs for file RDValue.h... Generating docs for file StreamOps.h... Generating docs for file types.h... Generating docs for file utils.h... Generating docs for file versions.h... Generating docs for file DistPicker.h... Generating docs for file HierarchicalClusterPicker.h... Generating docs for file LeaderPicker.h... Generating docs for file MaxMinPicker.h... Generating page documentation... Generating docs for page deprecated... Generating group documentation... Generating class documentation... Generating docs for compound BitVect... Generating docs for compound Data3Ddescriptors... Generating docs for compound DatastructsException... Generating docs for compound ExplicitBitVect... Generating docs for compound IndexErrorException... Generating docs for compound KeyErrorException... Generating docs for compound MolData3Ddescriptors... Generating docs for compound PySequenceHolder... Generating docs for compound SparseBitVect... Generating docs for compound ValueErrorException... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for namespace BFGSOpt Generating docs for namespace boost Generating docs for namespace boost::logging Generating docs for compound boost::logging::rdLogger... Generating docs for namespace boost_adaptbx Generating docs for namespace boost_adaptbx::python Generating docs for compound boost_adaptbx::python::ostream... Generating docs for compound boost_adaptbx::python::streambuf... Generating docs for nested compound boost_adaptbx::python::streambuf::istream... Generating docs for nested compound boost_adaptbx::python::streambuf::ostream... Generating docs for compound boost_adaptbx::python::streambuf_capsule... Generating docs for namespace ChemicalFeatures Generating docs for compound ChemicalFeatures::ChemicalFeature... Generating docs for compound ChemicalFeatures::FreeChemicalFeature... Generating docs for namespace conrec Generating docs for compound conrec::ConrecSegment... Generating docs for compound conrec::tplHash... Generating docs for namespace DistGeom Generating docs for compound DistGeom::BoundsMatrix... Generating docs for compound DistGeom::ChiralSet... Generating docs for compound DistGeom::ChiralViolationContrib... Generating docs for compound DistGeom::DistViolationContrib... Generating docs for compound DistGeom::FourthDimContrib... Generating docs for namespace ForceFields Generating docs for compound ForceFields::ForceField... Generating docs for compound ForceFields::ForceFieldContrib... Generating docs for namespace ForceFields::CrystalFF Generating docs for compound ForceFields::CrystalFF::CrystalFFDetails... Generating docs for compound ForceFields::CrystalFF::ExpTorsionAngle... Generating docs for compound ForceFields::CrystalFF::TorsionAngleContribM6... Generating docs for namespace ForceFields::MMFF Generating docs for compound ForceFields::MMFF::AngleBendContrib... Generating docs for compound ForceFields::MMFF::AngleConstraintContrib... Generating docs for compound ForceFields::MMFF::BondStretchContrib... Generating docs for compound ForceFields::MMFF::DistanceConstraintContrib... Generating docs for compound ForceFields::MMFF::EleContrib... Generating docs for compound ForceFields::MMFF::MMFFAngle... Generating docs for compound ForceFields::MMFF::MMFFAngleCollection... Generating docs for compound ForceFields::MMFF::MMFFAromCollection... Generating docs for compound ForceFields::MMFF::MMFFBndkCollection... Generating docs for compound ForceField/build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/PositionConstraint.h:29: warning: argument 'minDispl' of command @param is not found in the argument list of ForceFields::MMFF::PositionConstraintContrib::PositionConstraintContrib(ForceField *owner, unsigned int idx, double maxDispl, double forceConst) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.h:32: warning: argument 'angleType' of command @param is not found in the argument list of ForceFields::MMFF::StretchBendContrib::StretchBendContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const unsigned int idx3, const MMFFStbn *mmffStbnParams, const MMFFAngle *mmffAngleParams, const MMFFBond *mmffBondParams1, const MMFFBond *mmffBondParams2) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/StretchBend.h:32: warning: The following parameters of ForceFields::MMFF::StretchBendContrib::StretchBendContrib(ForceField *owner, const unsigned int idx1, const unsigned int idx2, const unsigned int idx3, const MMFFStbn *mmffStbnParams, const MMFFAngle *mmffAngleParams, const MMFFBond *mmffBondParams1, const MMFFBond *mmffBondParams2) are not documented: parameter 'mmffStbnParams' parameter 'mmffAngleParams' parameter 'mmffBondParams1' parameter 'mmffBondParams2' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.h:31: warning: argument 'torsionType' of command @param is not found in the argument list of ForceFields::MMFF::TorsionAngleContrib::TorsionAngleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/TorsionAngle.h:31: warning: The following parameter of ForceFields::MMFF::TorsionAngleContrib::TorsionAngleContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, const MMFFTor *mmffTorParams) is not documented: parameter 'mmffTorParams' /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/Nonbonded.h:30: warning: The following parameter of ForceFields::MMFF::VdWContrib::VdWContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, const MMFFVdWRijstarEps *mmffVdWConstants) is not documented: parameter 'mmffVdWConstants' /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.h:28: warning: argument 'minAngle' of command @param is not found in the argument list of ForceFields::UFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.h:28: warning: argument 'maxAngle' of command @param is not found in the argument list of ForceFields::UFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/AngleConstraint.h:28: warning: The following parameters of ForceFields::UFF::AngleConstraintContrib::AngleConstraintContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, double minAngleDeg, double maxAngleDeg, double forceConst) are not documented: parameter 'minAngleDeg' parameter 'maxAngleDeg' /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/Inversion.h:27: warning: The following parameter of ForceFields::UFF::InversionContrib::InversionContrib(ForceField *owner, unsigned int idx1, unsigned int idx2, unsigned int idx3, unsigned int idx4, int at2AtomicNum, bool isCBoundToO, double oobForceScalingFactor=1.0) is not documented: parameter 'oobForceScalingFactor' /build/reproducible-path/rdkit-202309.3/Code/ForceField/UFF/PositionConstraint.h:29: warning: argument 'minDispl' of command @param is not found in the argument list of ForceFields::UFF::PositionConstraintContrib::PositionConstraintContrib(ForceField *owner, unsigned int idx, double maxDispl, double forceConst) s::MMFF::MMFFBond... Generating docs for compound ForceFields::MMFF::MMFFBondCollection... Generating docs for compound ForceFields::MMFF::MMFFChg... Generating docs for compound ForceFields::MMFF::MMFFChgCollection... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEle... Generating docs for compound ForceFields::MMFF::MMFFCovRadPauEleCollection... Generating docs for compound ForceFields::MMFF::MMFFDef... Generating docs for compound ForceFields::MMFF::MMFFDefCollection... Generating docs for compound ForceFields::MMFF::MMFFDfsbCollection... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurie... Generating docs for compound ForceFields::MMFF::MMFFHerschbachLaurieCollection... Generating docs for compound ForceFields::MMFF::MMFFOop... Generating docs for compound ForceFields::MMFF::MMFFOopCollection... Generating docs for compound ForceFields::MMFF::MMFFPBCI... Generating docs for compound ForceFields::MMFF::MMFFPBCICollection... Generating docs for compound ForceFields::MMFF::MMFFProp... Generating docs for compound ForceFields::MMFF::MMFFPropCollection... Generating docs for compound ForceFields::MMFF::MMFFStbn... Generating docs for compound ForceFields::MMFF::MMFFStbnCollection... Generating docs for compound ForceFields::MMFF::MMFFTor... Generating docs for compound ForceFields::MMFF::MMFFTorCollection... Generating docs for compound ForceFields::MMFF::MMFFVdW... Generating docs for compound ForceFields::MMFF::MMFFVdWCollection... Generating docs for compound ForceFields::MMFF::MMFFVdWRijstarEps... Generating docs for compound ForceFields::MMFF::OopBendContrib... Generating docs for compound ForceFields::MMFF::PositionConstraintContrib... Generating docs for compound ForceFields::MMFF::StretchBendContrib... Generating docs for compound ForceFields::MMFF::TorsionAngleContrib... Generating docs for compound ForceFields::MMFF::TorsionConstraintContrib... Generating docs for compound ForceFields::MMFF::VdWContrib... Generating docs for namespace ForceFields::MMFF::Utils Generating docs for namespace ForceFields::UFF Generating docs for compound ForceFields::UFF::AngleBendContrib... Generating docs for compound ForceFields::UFF::AngleConstraintContrib... Generating docs for compound ForceFields::UFF::AtomicParams... Generating docs for compound ForceFields::UFF::BondStretchContrib... Generating docs for compound ForceFields::UFF::DistanceConstraintContrib... Generating docs for compound ForceFields::UFF::InversionContrib... Generating docs for compound ForceFields::UFF::ParamCollection... Generating docs for compound ForceFields::UFF::PositionConstraintContrib... Generating docs for compound ForceFields::UFF::TorsionAngleContrib... Generating docs for compound ForceFields::UFF::TorsionConstraintContrib... Generating docs for compound ForceFields::UFF::UFFAngle... Generating docs for compound ForceFields::UFF::UFFBond... Generating docs for compound ForceFields::UFF::UFFInv... Generating docs for compound ForceFields::UFF::UFFTor... Generating docs for compound ForceFields::UFF::UFFVdW... Generating docs for compound ForceFields::UFF::vdWContrib... Generating docs for namespace ForceFields::UFF::Params Generating docs for namespace ForceFields::UFF::Utils Generating docs for namespace Invar Generating docs for compound Invar::Invariant... Generating docs for namespace MolTransforms Generating docs for namespace Queries Generating docs for compound Queries::AndQuery... Generating docs for compound Queries::EqualityQuery... Generating docs for compound Queries::GreaterEqualQuery... Generating docs for compound Queries::GreaterQuery... Generating docs for compound Queries::Int2Type... Generating docs for compound Queries::LessEqualQuery... Generating docs for compound Queries::LessQuery... Generating docs for compound Queries::OrQuery... Generating docs for compound Queries::Query... Generating docs for compound Queries::RangeQuery... Generating docs for compound Queries::SetQuery... Generating docs for compound Queries::XOrQuery... Generating docs for namespace Rankers Generating docs for name/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/RDDepictor.h:393: warning: argument 'refPattern' of command @param is not found in the argument list of RDDepict::generateDepictionMatching3DStructure(RDKit::ROMol &mol, const RDKit::ROMol &reference, int confId=-1, RDKit::ROMol *referencePattern=nullptr, bool acceptFailure=false, bool forceRDKit=false) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/RDDepictor.h:393: warning: The following parameter of RDDepict::generateDepictionMatching3DStructure(RDKit::ROMol &mol, const RDKit::ROMol &reference, int confId=-1, RDKit::ROMol *referencePattern=nullptr, bool acceptFailure=false, bool forceRDKit=false) is not documented: parameter 'referencePattern' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:534: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstanceGroup.h:267: warning: The following parameter of RDKit::addSubstanceGroup(ROMol &mol, SubstanceGroup sgroup) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/CDXMLParser.h:42: warning: argument 'fileName' of command @param is not found in the argument list of RDKit::CDXMLFileToMols(const std::string &filename, bool sanitize=true, bool removeHs=true) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/CDXMLParser.h:42: warning: The following parameter of RDKit::CDXMLFileToMols(const std::string &filename, bool sanitize=true, bool removeHs=true) is not documented: parameter 'filename' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceParsers.h:105: warning: argument 'seq' of command @param is not found in the argument list of RDKit::HELMToMol(const char *helm, bool sanitize=true) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/SequenceParsers.h:105: warning: The following parameter of RDKit::HELMToMol(const char *helm, bool sanitize=true) is not documented: parameter 'helm' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h:69: warning: The following parameter of RDKit::LayeredFingerprintMol(const ROMol &mol, unsigned int layerFlags=0xFFFFFFFF, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, std::vector< unsigned int > *atomCounts=nullptr, ExplicitBitVect *setOnlyBits=nullptr, bool branchedPaths=true, const std::vector< std::uint32_t > *fromAtoms=nullptr) is not documented: parameter 'fromAtoms' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:525: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/QueryOps.h:534: warning: Found unknown command '\overloadquery' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParsers.h:51: warning: argument 'line' from the argument list of RDKit::MolDataStreamToMol has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.h:167: warning: argument 'doRandom' of command @param is not found in the argument list of RDKit::MolFragmentToSmiles(const ROMol &mol, const std::vector< int > &atomsToUse, const std::vector< int > *bondsToUse=nullptr, const std::vector< std::string > *atomSymbols=nullptr, const std::vector< std::string > *bondSymbols=nullptr, bool doIsomericSmiles=true, bool doKekule=false, int rootedAtAtom=-1, bool canonical=true, bool allBondsExplicit=false, bool allHsExplicit=false) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.h:216: warning: The following parameter of RDKit::MolToCXSmiles(const ROMol &mol, bool doIsomericSmiles=true, bool doKekule=false, int rootedAtAtom=-1, bool canonical=true, bool allBondsExplicit=false, bool allHsExplicit=false, bool doRandom=false) is not documented: parameter 'doRandom' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParsers.h:341: warning: argument 'fName' of command @param is not found in the argument list of RDKit::MolToPDBFile(const ROMol &mol, const std::string &fname, int confId=-1, unsigned int flavor=0) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FileParsers/FileParsers.h:341: warning: The following parameter of RDKit::MolToPDBFile(const ROMol &mol, const std::string &fname, int confId=-1, unsigned int flavor=0) is not documented: parameter 'fname' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/SmilesParse/SmilesWrite.h:107: warning: The following parameter of RDKit::MolToSmiles(const ROMol &mol, bool doIsomericSmiles=true, bool doKekule=false, int rootedAtAtom=-1, bool canonical=true, bool allBondsExplicit=false, bool allHsExplicit=false, bool doRandom=false) is not documented: parameter 'doRandom' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h:120: warning: The following parameter of RDKit::PatternFingerprintMol(const ROMol &mol, unsigned int fpSize=2048, std::vector< unsigned int > *atomCounts=nullptr, ExplicitBitVect *setOnlyBits=nullptr, bool tautomericFingerprint=false) is not documented: parameter 'tautomericFingerprint' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h:27: warning: argument 'useBondOrders' of command @param is not found in the argument list of RDKit::RDKFingerprintMol(const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=true, bool useBondOrder=true, std::vector< std::uint32_t > *atomInvariants=nullptr, const std::vector< std::uint32_t > *fromAtoms=nullptr, std::vector< std::vector< std::uint32_t > > *atomBits=nullptr, std::map< std::uint32_t, std::vector< std::vector< int > > > *bitInfo=nullptr) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Fingerprints.h:27: warning: The following parameters of RDKit::RDKFingerprintMol(const ROMol &mol, unsigned int minPath=1, unsigned int maxPath=7, unsigned int fpSize=2048, unsigned int nBitsPerHash=2, bool useHs=true, double tgtDensity=0.0, unsigned int minSize=128, bool branchedPaths=true, bool useBondOrder=true, std::vector< std::uint32_t > *atomInvariants=nullptr, const std::vector< std::uint32_t > *fromAtoms=nullptr, std::vector< std::vector< std::uint32_t > > *atomBits=nullptr, std::map< std::uint32_t, std::vector< std::vector< int > > > *bitInfo=nullptr) are not documented: parameter 'useBondOrder' parameter 'bitInfo' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.h:94: warning: The following parameter of RDKit::reduceProductToSideChains(const ROMOL_SPTR &product, bool addDummyAtoms=true) is not documented: parameter 'product' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemTransforms/ChemTransforms.h:114: warning: argument 'useChirality' of command @param is not found in the argument list of RDKit::replaceCore(const ROMol &mol, const ROMol &core, const MatchVectType &matchVect, bool replaceDummies=true, bool labelByIndex=false, bool requireDummyMatch=false) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.h:66: warning: argument 'reactantTemplateIdx' of command @param is not found in the argument list of RDKit::run_Reactant(const ChemicalReaction &rxn, const ROMOL_SPTR &reactant, unsigned int reactantIdx) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/ReactionRunner.h:66: warning: The following parameters of RDKit::run_Reactant(const ChemicalReaction &rxn, const ROMOL_SPTR &reactant, unsigned int reactantIdx) are not documented: parameter 'rxn' parameter 'reactantIdx' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h:81: warning: argument 'matchParams' of command @param is not found in the argument list of RDKit::SubstructMatch(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h:81: warning: The following parameter of RDKit::SubstructMatch(const ROMol &mol, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h:94: warning: argument 'matchParams' of command @param is not found in the argument list of RDKit::SubstructMatch(ResonanceMolSupplier &resMolSuppl, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h:94: warning: The following parameter of RDKit::SubstructMatch(ResonanceMolSupplier &resMolSuppl, const ROMol &query, const SubstructMatchParameters ¶ms=SubstructMatchParameters()) is not documented: parameter 'params' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Substruct/SubstructMatch.h:149: warning: The following parameter of RDKit::SubstructMatch(T1 &mol, const T2 &query, std::vector< MatchVectType > &matchVect, bool uniquify=true, bool recursionPossible=true, bool useChirality=false, bool useQueryQueryMatches=false, unsigned int maxMatches=1000, int numThreads=1) is not documented: parameter 'numThreads' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::AtomEnvironment::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const=0 are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Reaction.h:219: warning: argument 'maxProducts' of command @param is not found in the argument list of RDKit::ChemicalReaction::runReactants(const MOL_SPTR_VECT reactants, unsigned int numProducts=1000) const /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Reaction.h:219: warning: The following parameter of RDKit::ChemicalReaction::runReactants(const MOL_SPTR_VECT reactants, unsigned int numProducts=1000) const is not documented: parameter 'numProducts' space RDCatalog Generating docs for compound RDCatalog::Catalog... Generating docs for compound RDCatalog::CatalogEntry... Generating docs for compound RDCatalog::CatalogParams... Generating docs for compound RDCatalog::HierarchCatalog... Generating docs for nested compound RDCatalog::HierarchCatalog::vertex_entry_t... Generating docs for namespace RDDataManip Generating docs for compound RDDataManip::MetricMatrixCalc... Generating docs for namespace RDDepict Generating docs for compound RDDepict::Compute2DCoordParameters... Generating docs for compound RDDepict::ConstrainedDepictionParams... Generating docs for compound RDDepict::CoordinateTemplates... Generating docs for compound RDDepict::DepictException... Generating docs for compound RDDepict::EmbeddedAtom... Generating docs for compound RDDepict::EmbeddedFrag... Generating docs for compound RDDepict::gtIIPair... Generating docs for namespace RDFeatures Generating docs for compound RDFeatures::ExplicitFeature... Generating docs for compound RDFeatures::ImplicitFeature... Generating docs for namespace RDGeom Generating docs for compound RDGeom::Grid3D... Generating docs for compound RDGeom::GridException... Generating docs for compound RDGeom::Point... Generating docs for compound RDGeom::Point2D... Generating docs for compound RDGeom::Point3D... Generating docs for compound RDGeom::PointND... Generating docs for compound RDGeom::Transform2D... Generating docs for compound RDGeom::Transform3D... Generating docs for compound RDGeom::UniformGrid3D... Generating docs for namespace RDInfoTheory Generating docs for compound RDInfoTheory::BitCorrMatGenerator... Generating docs for compound RDInfoTheory::InfoBitRanker... Generating docs for namespace RDKit Generating docs for compound RDKit::AdditionalOutput... Generating docs for compound RDKit::AromaticAtomIterator_... Generating docs for compound RDKit::Atom... Generating docs for compound RDKit::AtomEnvironment... Generating docs for compound RDKit::AtomEnvironmentGenerator... Generating docs for compound RDKit::atomicData... Generating docs for compound RDKit::AtomInvariantsGenerator... Generating docs for compound RDKit::AtomIterator_... Generating docs for compound RDKit::AtomKekulizeException... Generating docs for compound RDKit::AtomMonomerInfo... Generating docs for compound RDKit::AtomPDBResidueInfo... Generating docs for compound RDKit::AtomRingQuery... Generating docs for compound RDKit::AtomSanitizeException... Generating docs for compound RDKit::AtomValenceException... Generating docs for compound RDKit::BadFileException... Generating docs for compound RDKit::Bond... Generating docs for compound RDKit::BondInvariantsGenerator... Generating docs for compound RDKit::BondIterator_... Generating docs for compound RDKit::CachedMolHolder... Generating docs for compound RDKit::CachedSmilesMolHolder... Generating docs for compound RDKit::CachedTrustedSmilesMolHolder... Generating docs for compound RDKit::CartesianProduct... Generating docs for compound RDKit::CartesianProductStrategy... Generating docs for compound RDKit::charptr_functor... Generating docs for compound RDKit::ChemicalReaction... Generating docs for compound RDKit::ChemicalReactionException... Generating docs for compound RDKit::ChemicalReactionParserException... Generating docs for compound RDKit::Conformer... Generating docs for compound RDKit::ConformerException... Generating docs for compound RDKit::ConstBondIterator_... Generating docs for compound RDKit::CustomPropHandler... Generating docs for compound RDKit::CXXAtomIterator... Generating docs for nested compound RDKit::CXXAtomIterator::CXXAtomIter... Generating docs for compound RDKit::CXXBondIterator... Generating docs for nested compound RDKit::CXXBondIterator::CXXBondIter... Generating docs for compound RDKit::DataStructsExplicitBitVecPropHandler... Generating docs for compound RDKit::Dict... Generating docs for nested compound RDKit::Dict::Pair... Generating docs for compound RDKit::DiscreteDistMat... Generating docs for compound RDKit::DiscreteValueVect... Generating docs for compound RD/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h:430: warning: argument 'matches' of command @param is not found in the argument list of RDKit::ExclusionList::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 101 in file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::ExclusionList::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatcherBase::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const=0 /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::FilterMatcherBase::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const=0 is not documented: parameter 'matchVect' Kit::DrawColour... Generating docs for compound RDKit::EnumerateLibrary... Generating docs for compound RDKit::EnumerateLibraryBase... Generating docs for compound RDKit::EnumerationParams... Generating docs for compound RDKit::EnumerationStrategyBase... Generating docs for compound RDKit::EnumerationStrategyException... Generating docs for compound RDKit::EvenSamplePairsStrategy... Generating docs for compound RDKit::ExclusionList... Generating docs for compound RDKit::FeatureFileParseException... Generating docs for compound RDKit::FileParseException... Generating docs for compound RDKit::FilterCatalog... Generating docs for compound RDKit::FilterCatalogEntry... Generating docs for compound RDKit::FilterCatalogParams... Generating docs for compound RDKit::FilterData_t... Generating docs for compound RDKit::FilterHierarchyMatcher... Generating docs for compound RDKit::FilterMatch... Generating docs for compound RDKit::FilterMatcherBase... Generating docs for compound RDKit::FilterProperty_t... Generating docs for compound RDKit::FingerprintArguments... Generating docs for compound RDKit::FingerprintFuncArguments... Generating docs for compound RDKit::FingerprintGenerator... Generating docs for compound RDKit::FingerprintVarianceScoreData... Generating docs for compound RDKit::FixedMolSizeMolBundle... Generating docs for compound RDKit::ForwardSDMolSupplier... Generating docs for compound RDKit::FPBReader... Generating docs for compound RDKit::FPHolderBase... Generating docs for compound RDKit::FragCatalogEntry... Generating docs for compound RDKit::FragCatGenerator... Generating docs for compound RDKit::FragCatParams... Generating docs for compound RDKit::FragFPGenerator... Generating docs for compound RDKit::GaResult... Generating docs for compound RDKit::GasteigerParams... Generating docs for compound RDKit::HasPropQuery... Generating docs for compound RDKit::HasPropWithValueQuery... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, ExplicitBitVect >... Generating docs for compound RDKit::HasPropWithValueQuery< TargetPtr, std::string >... Generating docs for compound RDKit::HeteroatomIterator_... Generating docs for compound RDKit::KekulizeException... Generating docs for compound RDKit::KeyFromPropHolder... Generating docs for compound RDKit::KeyHolderBase... Generating docs for compound RDKit::larger_of... Generating docs for compound RDKit::ltDouble... Generating docs for compound RDKit::MarvinArrow... Generating docs for compound RDKit::MarvinAtom... Generating docs for compound RDKit::MarvinAttachmentPoint... Generating docs for compound RDKit::MarvinBond... Generating docs for compound RDKit::MarvinBondStereo... Generating docs for compound RDKit::MarvinCondition... Generating docs for compound RDKit::MarvinDataSgroup... Generating docs for compound RDKit::MarvinGenericSgroup... Generating docs for compound RDKit::MarvinMol... Generating docs for compound RDKit::MarvinMolBase... Generating docs for compound RDKit::MarvinMonomerSgroup... Generating docs for compound RDKit::MarvinMulticenterSgroup... Generating docs for compound RDKit::MarvinMultipleSgroup... Generating docs for compound RDKit::MarvinPlus... Generating docs for compound RDKit::MarvinReaction... Generating docs for compound RDKit::MarvinRectangle... Generating docs for compound RDKit::MarvinSruCoModSgroup... Generating docs for compound RDKit::MarvinStereoGroup... Generating docs for compound RDKit::MarvinSuperatomSgroup... Generating docs for compound RDKit::MarvinSuperatomSgroupExpanded... Generating docs for compound RDKit::MarvinWriterException... Generating docs for compound RDKit::MatchingAtomIterator_... Generating docs for compound RDKit::MCSAtomCompareParameters... Generating docs for compound RDKit::MCSBondCompareParameters... Generating docs for compound RDKit::MCSParameters... Generating docs for compound RDKit::MCSProgressData... Generating docs for compound RDKit::MCSResult... Generating docs for compound RDKit::MolBundle... Generating docs for compound RDKit::MolCatalogEntry... Generating docs for compound RDKit::/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:71: warning: argument 'highlight_atoms' from the argument list of RDKit::MolDraw2D::drawMolecule has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:71: warning: The following parameter of RDKit::MolDraw2D::drawMolecule(const ROMol &mol, const std::string &legend, const std::vector< int > *highlight_atoms, const std::vector< int > *highlight_bonds, const std::map< int, DrawColour > *highlight_atom_map=nullptr, const std::map< int, DrawColour > *highlight_bond_map=nullptr, const std::map< int, double > *highlight_radii=nullptr, int confId=-1) is not documented: parameter 'highlight_bonds' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'highlight_atom_map' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'highlight_bond_map' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'confId' of command @param is not found in the argument list of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: argument 'highlight_atoms' from the argument list of RDKit::MolDraw2D::drawMolecules has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/MolDraw2D.h:149: warning: The following parameters of RDKit::MolDraw2D::drawMolecules(const std::vector< ROMol * > &mols, const std::vector< std::string > *legends=nullptr, const std::vector< std::vector< int > > *highlight_atoms=nullptr, const std::vector< std::vector< int > > *highlight_bonds=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_atom_maps=nullptr, const std::vector< std::map< int, DrawColour > > *highlight_bond_maps=nullptr, const std::vector< std::map< int, double > > *highlight_radii=nullptr, const std::vector< int > *confIds=nullptr) are not documented: parameter 'highlight_bonds' parameter 'highlight_atom_maps' parameter 'highlight_bond_maps' parameter 'confIds' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Resonance.h:114: warning: argument 'numThreads' of command @param is not found in the argument list of RDKit::ResonanceMolSupplier::ResonanceMolSupplier(ROMol &mol, unsigned int flags=0, unsigned int maxStructs=1000) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h:336: warning: argument 'matches' of command @param is not found in the argument list of RDKit::SmartsMatcher::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 101 in file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::SmartsMatcher::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' MolCatalogParams... Generating docs for compound RDKit::MolChemicalFeature... Generating docs for compound RDKit::MolChemicalFeatureDef... Generating docs for compound RDKit::MolChemicalFeatureFactory... Generating docs for compound RDKit::MolDraw2D... Generating docs for compound RDKit::MolDraw2DCairo... Generating docs for compound RDKit::MolDraw2DJS... Generating docs for compound RDKit::MolDraw2DQt... Generating docs for compound RDKit::MolDraw2DSVG... Generating docs for compound RDKit::MolDraw2Dwx... Generating docs for compound RDKit::MolDrawOptions... Generating docs for compound RDKit::MolFileUnhandledFeatureException... Generating docs for compound RDKit::MolHolder... Generating docs for compound RDKit::MolHolderBase... Generating docs for compound RDKit::MolMatchFinalCheckFunctor... Generating docs for compound RDKit::MolPickler... Generating docs for compound RDKit::MolPicklerException... Generating docs for compound RDKit::MolSanitizeException... Generating docs for compound RDKit::MolSupplier... Generating docs for compound RDKit::MolWriter... Generating docs for compound RDKit::MolzipParams... Generating docs for compound RDKit::MultiFPBReader... Generating docs for compound RDKit::PatternHolder... Generating docs for compound RDKit::PDBMolSupplier... Generating docs for compound RDKit::PDBWriter... Generating docs for compound RDKit::PeriodicTable... Generating docs for compound RDKit::QueryAtom... Generating docs for compound RDKit::QueryAtomIterator_... Generating docs for compound RDKit::QueryBond... Generating docs for compound RDKit::RandomSampleAllBBsStrategy... Generating docs for compound RDKit::RandomSampleStrategy... Generating docs for compound RDKit::RCore... Generating docs for compound RDKit::RDAny... Generating docs for compound RDKit::RDProps... Generating docs for compound RDKit::RDValue... Generating docs for compound RDKit::ReactionFingerprintParams... Generating docs for compound RDKit::ReactionPickler... Generating docs for compound RDKit::ReactionPicklerException... Generating docs for compound RDKit::RecursiveStructureQuery... Generating docs for compound RDKit::ResonanceMolSupplier... Generating docs for compound RDKit::ResonanceMolSupplierCallback... Generating docs for compound RDKit::RGroupData... Generating docs for compound RDKit::RGroupDecompData... Generating docs for nested compound RDKit::RGroupDecompData::UsedLabels... Generating docs for compound RDKit::RGroupDecomposition... Generating docs for compound RDKit::RGroupDecompositionChromosome... Generating docs for compound RDKit::RGroupDecompositionParameters... Generating docs for compound RDKit::RGroupDecompositionProcessResult... Generating docs for compound RDKit::RGroupGa... Generating docs for compound RDKit::RGroupMatch... Generating docs for compound RDKit::RGroupScorer... Generating docs for compound RDKit::RingInfo... Generating docs for compound RDKit::ROMol... Generating docs for compound RDKit::RWMol... Generating docs for compound RDKit::RxnSanitizeException... Generating docs for compound RDKit::SDMolSupplier... Generating docs for compound RDKit::SDWriter... Generating docs for compound RDKit::SLNParseException... Generating docs for compound RDKit::SmartsMatcher... Generating docs for compound RDKit::SmartsParserParams... Generating docs for compound RDKit::SmilesMolSupplier... Generating docs for compound RDKit::SmilesParseException... Generating docs for compound RDKit::SmilesParserParams... Generating docs for compound RDKit::SmilesWriteParams... Generating docs for compound RDKit::SmilesWriter... Generating docs for compound RDKit::Snapshot... Generating docs for compound RDKit::SparseIntVect... Generating docs for compound RDKit::StereoBondThresholds... Generating docs for compound RDKit::StereoGroup... Generating docs for compound RDKit::SubstanceGroup... Generating docs for nested compound RDKit::SubstanceGroup::AttachPoint... Generating docs for nested compound RDKit::SubstanceGroup::CState... Generating docs for compound RDKit::SubstanceGroupException... Generating docs for compound RDKit::Substr/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Abbreviations.h:104: warning: The following parameter of RDKit::Abbreviations::findApplicableAbbreviationMatches(const ROMol &mol, const std::vector< AbbreviationDefinition > &abbrevs, double maxCoverage=0.4) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::AtomPair::AtomPairAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/AtomPairs.h:95: warning: The following parameter of RDKit::AtomPairs::getHashedAtomPairFingerprint(const ROMol &mol, unsigned int nBits=2048, unsigned int minLength=1, unsigned int maxLength=maxPathLen - 1, const std::vector< std::uint32_t > *fromAtoms=nullptr, const std::vector< std::uint32_t > *ignoreAtoms=nullptr, const std::vector< std::uint32_t > *atomInvariants=nullptr, bool includeChirality=false, bool use2D=true, int confId=-1) is not documented: parameter 'confId' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintUtil.h:75: warning: The following parameter of RDKit::AtomPairs::getTopologicalTorsionCode(const std::vector< std::uint32_t > &atomCodes, bool includeChirality=false) is not documented: parameter 'includeChirality' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Canon.h:103: warning: The following parameters of RDKit::Canon::canonicalizeFragment(ROMol &mol, int atomIdx, std::vector< AtomColors > &colors, const std::vector< unsigned int > &ranks, MolStack &molStack, const boost::dynamic_bitset<> *bondsInPlay=nullptr, const std::vector< std::string > *bondSymbols=nullptr, bool doIsomericSmiles=false, bool doRandom=false, bool doChiralInversions=true) are not documented: parameter 'bondsInPlay' parameter 'bondSymbols' parameter 'doIsomericSmiles' parameter 'doRandom' parameter 'doChiralInversions' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Chirality.h:138: warning: The following parameter of RDKit::Chirality::findPotentialStereo(ROMol &mol, bool cleanIt, bool flagPossible=true) is not documented: parameter 'flagPossible' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Chirality.h:190: warning: The following parameter of RDKit::Chirality::getTrigonalBipyramidalAxialBond(const Atom *center, int which=0) is not documented: parameter 'center' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/CIPLabeler.h:44: warning: The following parameter of RDKit::CIPLabeler::assignCIPLabels(ROMol &mol, unsigned int maxRecursiveIterations=0) is not documented: parameter 'maxRecursiveIterations' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.h:45: warning: argument 'strict' of command @param is not found in the argument list of RDKit::Descriptors::calcNumRotatableBonds(const ROMol &mol, NumRotatableBondsOptions useStrictDefinition=Default) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Lipinski.h:45: warning: The following parameter of RDKit::Descriptors::calcNumRotatableBonds(const ROMol &mol, NumRotatableBondsOptions useStrictDefinition=Default) is not documented: parameter 'useStrictDefinition' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/USRDescriptor.h:68: warning: The following parameter of RDKit::Descriptors::USRCAT(const ROMol &mol, std::vector< double > &descriptor, std::vector< std::vector< unsigned int > > &atomIds, int confId=-1) is not documented: parameter 'atomIds' uctLibrary... Generating docs for compound RDKit::SubstructMatchParameters... Generating docs for compound RDKit::TautomerPatternHolder... Generating docs for compound RDKit::TautomerQuery... Generating docs for compound RDKit::TDTMolSupplier... Generating docs for compound RDKit::TDTWriter... Generating docs for compound RDKit::Trajectory... Generating docs for compound RDKit::UnimplementedFPException... Generating docs for compound RDKit::UsedLabelMap... Generating docs for compound RDKit::VarianceDataForLabel... Generating docs for namespace RDKit::Abbreviations Generating docs for compound RDKit::Abbreviations::AbbreviationDefinition... Generating docs for compound RDKit::Abbreviations::AbbreviationMatch... Generating docs for namespace RDKit::Abbreviations::common_properties Generating docs for namespace RDKit::Abbreviations::Utils Generating docs for namespace RDKit::AtomPair Generating docs for compound RDKit::AtomPair::AtomPairArguments... Generating docs for compound RDKit::AtomPair::AtomPairAtomEnv... Generating docs for compound RDKit::AtomPair::AtomPairAtomInvGenerator... Generating docs for compound RDKit::AtomPair::AtomPairEnvGenerator... Generating docs for namespace RDKit::AtomPairs Generating docs for namespace RDKit::Canon Generating docs for compound RDKit::Canon::AtomCompareFunctor... Generating docs for compound RDKit::Canon::bondholder... Generating docs for compound RDKit::Canon::canon_atom... Generating docs for compound RDKit::Canon::ChiralAtomCompareFunctor... Generating docs for compound RDKit::Canon::MolStackElem... Generating docs for compound RDKit::Canon::MolStackUnion... Generating docs for compound RDKit::Canon::SpecialChiralityAtomCompareFunctor... Generating docs for compound RDKit::Canon::SpecialSymmetryAtomCompareFunctor... Generating docs for namespace RDKit::Canon::detail Generating docs for namespace RDKit::Chirality Generating docs for compound RDKit::Chirality::BondWedgingParameters... Generating docs for compound RDKit::Chirality::StereoInfo... Generating docs for namespace RDKit::Chirality::detail Generating docs for namespace RDKit::CIPLabeler Generating docs for compound RDKit::CIPLabeler::CIPMol... Generating docs for compound RDKit::CIPLabeler::CIPMolSpan... Generating docs for nested compound RDKit::CIPLabeler::CIPMolSpan::CIPMolIter... Generating docs for compound RDKit::CIPLabeler::Configuration... Generating docs for compound RDKit::CIPLabeler::Digraph... Generating docs for compound RDKit::CIPLabeler::Edge... Generating docs for compound RDKit::CIPLabeler::MaxIterationsExceeded... Generating docs for compound RDKit::CIPLabeler::Node... Generating docs for compound RDKit::CIPLabeler::PairList... Generating docs for compound RDKit::CIPLabeler::Priority... Generating docs for compound RDKit::CIPLabeler::Rule1a... Generating docs for compound RDKit::CIPLabeler::Rule1b... Generating docs for compound RDKit::CIPLabeler::Rule2... Generating docs for compound RDKit::CIPLabeler::Rule3... Generating docs for compound RDKit::CIPLabeler::Rule4a... Generating docs for compound RDKit::CIPLabeler::Rule4b... Generating docs for compound RDKit::CIPLabeler::Rule4c... Generating docs for compound RDKit::CIPLabeler::Rule5... Generating docs for compound RDKit::CIPLabeler::Rule5New... Generating docs for compound RDKit::CIPLabeler::Rule6... Generating docs for compound RDKit::CIPLabeler::Rules... Generating docs for compound RDKit::CIPLabeler::SequenceRule... Generating docs for compound RDKit::CIPLabeler::Sort... Generating docs for compound RDKit::CIPLabeler::Sp2Bond... Generating docs for compound RDKit::CIPLabeler::Tetrahedral... Generating docs for compound RDKit::CIPLabeler::TooManyNodesException... Generating docs for namespace RDKit::CIPLabeler_detail Generating docs for namespace RDKit::common_properties Generating docs for namespace RDKit::constants Generating docs for namespace RDKit::Deprotect Generating docs for compound RDKit::Deprotect::DeprotectData... Generating docs for namespace RDKit::Descriptors Generating docs for compound RDKit::Descriptors::CrippenParamCollection.../build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h:37: warning: The following parameter of RDKit::DGeomHelpers::setTopolBounds(const ROMol &mol, DistGeom::BoundsMatPtr mmat, bool set15bounds=true, bool scaleVDW=false, bool useMacrocycle14config=false, bool forceTransAmides=true) is not documented: parameter 'forceTransAmides' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h:98: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::And::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 101 in file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::FilterMatchOps::And::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h:218: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::Not::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 101 in file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::FilterMatchOps::Not::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatchers.h:161: warning: argument 'matches' of command @param is not found in the argument list of RDKit::FilterMatchOps::Or::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const inherited from member getMatches at line 101 in file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h /build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/FilterMatcherBase.h:101: warning: The following parameter of RDKit::FilterMatchOps::Or::getMatches(const ROMol &mol, std::vector< FilterMatch > &matchVect) const is not documented: parameter 'matchVect' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:102: warning: found tag without matching /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:93: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::CreateShingling(const ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:141: warning: found tag without matching /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:132: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::Encode(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:191: warning: found tag without matching /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MHFP.h:183: warning: The following parameter of RDKit::MHFPFingerprints::MHFPEncoder::EncodeSECFP(ROMol &mol, unsigned char radius=3, bool rings=true, bool isomeric=false, bool kekulize=false, unsigned char min_radius=1, size_t length=2048) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA.h:23: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int maxCuts=3, unsigned int maxCutBonds=20, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented: parameter 'pattern' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/MMPA.h:44: warning: The following parameter of RDKit::MMPA::fragmentMol(const ROMol &mol, std::vector< std::pair< ROMOL_SPTR, ROMOL_SPTR > > &result, unsigned int minCuts, unsigned int maxCuts, unsigned int maxCutBonds, const std::string &pattern="[#6+0;!$(*=,#[!#6])]!@!=!#[*]") is not documented: parameter 'pattern' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/AlignMolecules.h:148: warning: argument 'trans' of command @param is not found in the argument list of RDKit::MolAlign::getBestRMS(ROMol &prbMol, const ROMol &refMol, int prbCid=-1, int refCid=-1, const std::vector< MatchVectType > &map=std::vector< MatchVectType >(), int maxMatches=1e6, bool symmetrizeConjugatedTerminalGroups=true, const RDNumeric::DoubleVector *weights=nullptr, int numThreads=1) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/AtomSymbol.h:38: warning: The following parameters of RDKit::MolDraw2D_detail::AtomSymbol::AtomSymbol(const std::string &symbol, int atIdx, OrientType orient, const Point2D &cds, const DrawColour &colour, DrawText &textDrawer) are not documented: parameter 'atIdx' parameter 'cds' parameter 'colour' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMol.h:45: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMol::DrawMol(const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour > > *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMol.h:45: warning: The following parameters of RDKit::MolDraw2D_detail::DrawMol::DrawMol(const ROMol &mol, const std::string &legend, int width, int height, const MolDrawOptions &drawOptions, DrawText &textDrawer, const std::vector< int > *highlightAtoms=nullptr, const std::vector< int > *highlightBonds=nullptr, const std::map< int, DrawColour > *highlightAtomMap=nullptr, const std::map< int, DrawColour > *highlightBondMap=nullptr, const std::vector< std::pair< DrawColour, DrawColour > > *bondColours=nullptr, const std::map< int, double > *highlight_radii=nullptr, bool includeAnnotations=true, int confId=-1, bool isReactionMol=false) are not documented: parameter 'bondColours' parameter 'highlight_radii' parameter 'includeAnnotations' parameter 'isReactionMol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.h:28: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCH::DrawMolMCH(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCH.h:28: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCH::DrawMolMCH(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' Generating docs for compound RDKit::Descriptors::CrippenParams... Generating docs for compound RDKit::Descriptors::Properties... Generating docs for compound RDKit::Descriptors::PropertyFunctor... Generating docs for namespace RDKit::Descriptors::detail Generating docs for namespace RDKit::detail Generating docs for compound RDKit::detail::MCSParametersInternal... Generating docs for namespace RDKit::details Generating docs for namespace RDKit::DGeomHelpers Generating docs for compound RDKit::DGeomHelpers::EmbedParameters... Generating docs for namespace RDKit::DTags Generating docs for namespace RDKit::EnumerationStrategyPickler Generating docs for namespace RDKit::EnumerationTypes Generating docs for namespace RDKit::FileParserUtils Generating docs for namespace RDKit::FilterMatchOps Generating docs for compound RDKit::FilterMatchOps::And... Generating docs for compound RDKit::FilterMatchOps::Not... Generating docs for compound RDKit::FilterMatchOps::Or... Generating docs for namespace RDKit::FMCS Generating docs for compound RDKit::FMCS::Composition2N... Generating docs for compound RDKit::FMCS::DuplicatedSeedCache... Generating docs for nested compound RDKit::FMCS::DuplicatedSeedCache::TKey... Generating docs for compound RDKit::FMCS::ExecStatistics... Generating docs for compound RDKit::FMCS::Graph... Generating docs for compound RDKit::FMCS::MaximumCommonSubgraph... Generating docs for compound RDKit::FMCS::MolFragment... Generating docs for compound RDKit::FMCS::NewBond... Generating docs for compound RDKit::FMCS::Seed... Generating docs for compound RDKit::FMCS::SeedSet... Generating docs for compound RDKit::FMCS::SubstructureCache... Generating docs for nested compound RDKit::FMCS::SubstructureCache::HashKey... Generating docs for nested compound RDKit::FMCS::SubstructureCache::KeyNumericMetrics... Generating docs for compound RDKit::FMCS::Target... Generating docs for compound RDKit::FMCS::TargetMatch... Generating docs for compound RDKit::FMCS::TArray2D... Generating docs for namespace RDKit::ForceFieldsHelper Generating docs for namespace RDKit::ForceFieldsHelper::detail Generating docs for namespace RDKit::GeneralizedSubstruct Generating docs for compound RDKit::GeneralizedSubstruct::ExtendedQueryMol... Generating docs for namespace RDKit::GeneralMolSupplier Generating docs for compound RDKit::GeneralMolSupplier::SupplierOptions... Generating docs for namespace RDKit::GenericGroups Generating docs for namespace RDKit::GenericGroups::Matchers Generating docs for namespace RDKit::Local Generating docs for namespace RDKit::MACCSFingerprints Generating docs for namespace RDKit::MHFPFingerprints Generating docs for compound RDKit::MHFPFingerprints::MHFPEncoder... Generating docs for namespace RDKit::MHFPFingerprints::FNV Generating docs for namespace RDKit::MMFF Generating docs for compound RDKit::MMFF::MMFFAtomProperties... Generating docs for compound RDKit::MMFF::MMFFMolProperties... Generating docs for namespace RDKit::MMFF::DefaultParameters Generating docs for namespace RDKit::MMFF::Tools Generating docs for compound RDKit::MMFF::Tools::DefaultTorsionBondSmarts... Generating docs for namespace RDKit::MMPA Generating docs for namespace RDKit::MolAlign Generating docs for compound RDKit::MolAlign::LAP... Generating docs for compound RDKit::MolAlign::MolAlignException... Generating docs for compound RDKit::MolAlign::MolHistogram... Generating docs for compound RDKit::MolAlign::O3A... Generating docs for compound RDKit::MolAlign::O3AConstraint... Generating docs for compound RDKit::MolAlign::O3AConstraintVect... Generating docs for compound RDKit::MolAlign::O3AFuncData... Generating docs for compound RDKit::MolAlign::SDM... Generating docs for namespace RDKit::MolDraw2D_detail Generating docs for compound RDKit::MolDraw2D_detail::AtomSymbol... Generating docs for compound RDKit::MolDraw2D_detail::DrawAnnotation... Generating docs for compound RDKit::MolDraw2D_detail::DrawMol... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCH... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHCi/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h:24: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::DrawMolMCHCircleAndLine(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.h:24: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCHCircleAndLine::DrawMolMCHCircleAndLine(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h:21: warning: argument 'highlightRadii' of command @param is not found in the argument list of RDKit::MolDraw2D_detail::DrawMolMCHLasso::DrawMolMCHLasso(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.h:21: warning: The following parameter of RDKit::MolDraw2D_detail::DrawMolMCHLasso::DrawMolMCHLasso(const ROMol &mol, const std::string &legend, int width, int height, MolDrawOptions &drawOptions, DrawText &textDrawer, const std::map< int, std::vector< DrawColour > > &highlight_atom_map, const std::map< int, std::vector< DrawColour > > &highlight_bond_map, const std::map< int, double > &highlight_radii, const std::map< int, int > &highlight_linewidth_multipliers, int confId=-1) is not documented: parameter 'highlight_radii' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:263: warning: The following parameter of RDKit::MolEnumerator::enumerate(const ROMol &mol, size_t maxPerOperation=0) is not documented: parameter 'mol' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:142: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:132: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:139: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:135: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:87: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:77: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:84: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:80: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:216: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:206: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:213: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/MolEnumerator.h:209: warning: Found unknown command '\override' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/MolInterchange.h:81: warning: The following parameter of RDKit::MolInterchange::MolsToJSONData(const std::vector< T > &mols, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/MolInterchange.h:90: warning: The following parameter of RDKit::MolInterchange::MolToJSONData(const T &mol, const JSONWriteParameters ¶ms=defaultJSONWriteParameters) is not documented: parameter 'params' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:801: warning: The following parameter of RDKit::MolOps::getAdjacencyMatrix(const ROMol &mol, bool useBO=false, int emptyVal=0, bool force=false, const char *propNamePrefix=nullptr, const boost::dynamic_bitset<> *bondsToUse=nullptr) is not documented: parameter 'bondsToUse' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolOps.h:281: warning: The following parameters of RDKit::MolOps::mergeQueryHs(const ROMol &mol, bool mergeUnmappedOnly=false, bool mergeIsotopes=false) are not documented: parameter 'mergeUnmappedOnly' parameter 'mergeIsotopes' rcleAndLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawMolMCHLasso... Generating docs for compound RDKit::MolDraw2D_detail::DrawShape... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArc... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeArrow... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeDashedWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeEllipse... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapePolyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSimpleLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeSolidWedge... Generating docs for compound RDKit::MolDraw2D_detail::DrawShapeWavyLine... Generating docs for compound RDKit::MolDraw2D_detail::DrawText... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTCairo... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextFTSVG... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextJS... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextNotFT... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextQt... Generating docs for compound RDKit::MolDraw2D_detail::DrawTextSVG... Generating docs for compound RDKit::MolDraw2D_detail::StringRect... Generating docs for namespace RDKit::MolDraw2DUtils Generating docs for compound RDKit::MolDraw2DUtils::ContourParams... Generating docs for namespace RDKit::MolEnumerator Generating docs for compound RDKit::MolEnumerator::LinkNode... Generating docs for compound RDKit::MolEnumerator::LinkNodeOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorOp... Generating docs for compound RDKit::MolEnumerator::MolEnumeratorParams... Generating docs for compound RDKit::MolEnumerator::PositionVariationOp... Generating docs for compound RDKit::MolEnumerator::RepeatUnitOp... Generating docs for namespace RDKit::MolEnumerator::detail Generating docs for namespace RDKit::MolEnumerator::utils Generating docs for namespace RDKit::MolFragmenter Generating docs for compound RDKit::MolFragmenter::FragmenterBondType... Generating docs for namespace RDKit::MolHash Generating docs for namespace RDKit::MolInterchange Generating docs for compound RDKit::MolInterchange::JSONParseParameters... Generating docs for compound RDKit::MolInterchange::JSONWriteParameters... Generating docs for namespace RDKit::MolOps Generating docs for compound RDKit::MolOps::AdjustQueryParameters... Generating docs for compound RDKit::MolOps::RemoveHsParameters... Generating docs for namespace RDKit::MolOps::details Generating docs for namespace RDKit::MolShapes Generating docs for namespace RDKit::MolStandardize Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogEntry... Generating docs for compound RDKit::MolStandardize::AcidBaseCatalogParams... Generating docs for compound RDKit::MolStandardize::AllowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::ChargeCorrection... Generating docs for compound RDKit::MolStandardize::CleanupParameters... Generating docs for compound RDKit::MolStandardize::DisallowedAtomsValidation... Generating docs for compound RDKit::MolStandardize::FragmentCatalogEntry... Generating docs for compound RDKit::MolStandardize::FragmentCatalogParams... Generating docs for compound RDKit::MolStandardize::FragmentRemover... Generating docs for compound RDKit::MolStandardize::FragmentValidation... Generating docs for compound RDKit::MolStandardize::IsotopeValidation... Generating docs for compound RDKit::MolStandardize::LargestFragmentChooser... Generating docs for nested compound RDKit::MolStandardize::LargestFragmentChooser::Largest... Generating docs for compound RDKit::MolStandardize::MetalDisconnector... Generating docs for compound RDKi/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:204: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'countSimulation' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'includeChirality' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganGenerator.h:262: warning: argument 'onlyNonzeroInvariants' from the argument list of RDKit::MorganFingerprint::getMorganGenerator has multiple @param documentation sections /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::MorganFingerprint::MorganAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/MorganFingerprints.h:117: warning: The following parameter of RDKit::MorganFingerprints::getHashedFingerprint(const ROMol &mol, unsigned int radius, unsigned int nBits=2048, std::vector< boost::uint32_t > *invariants=nullptr, const std::vector< boost::uint32_t > *fromAtoms=nullptr, bool useChirality=false, bool useBondTypes=true, bool onlyNonzeroInvariants=false, BitInfoMap *atomsSettingBits=nullptr, bool includeRedundantEnvironments=false) is not documented: parameter 'nBits' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::RDKitFP::RDKitFPAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/ReducedGraphs.h:26: warning: The following parameter of RDKit::ReducedGraphs::generateMolExtendedReducedGraph(const ROMol &mol, std::vector< boost::dynamic_bitset<> > *atomTypes=nullptr) is not documented: parameter 'atomTypes' t::MolStandardize::MetalDisconnectorOptions... Generating docs for compound RDKit::MolStandardize::MolVSValidation... Generating docs for compound RDKit::MolStandardize::MolVSValidations... Generating docs for compound RDKit::MolStandardize::NeutralValidation... Generating docs for compound RDKit::MolStandardize::NoAtomValidation... Generating docs for compound RDKit::MolStandardize::Normalizer... Generating docs for compound RDKit::MolStandardize::RDKitValidation... Generating docs for compound RDKit::MolStandardize::Reionizer... Generating docs for compound RDKit::MolStandardize::Tautomer... Generating docs for compound RDKit::MolStandardize::TautomerCatalogEntry... Generating docs for compound RDKit::MolStandardize::TautomerCatalogParams... Generating docs for compound RDKit::MolStandardize::TautomerEnumerator... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorCallback... Generating docs for compound RDKit::MolStandardize::TautomerEnumeratorResult... Generating docs for nested compound RDKit::MolStandardize::TautomerEnumeratorResult::const_iterator... Generating docs for compound RDKit::MolStandardize::TautomerTransform... Generating docs for compound RDKit::MolStandardize::TransformCatalogEntry... Generating docs for compound RDKit::MolStandardize::TransformCatalogParams... Generating docs for compound RDKit::MolStandardize::Uncharger... Generating docs for compound RDKit::MolStandardize::ValidationErrorInfo... Generating docs for compound RDKit::MolStandardize::ValidationMethod... Generating docs for namespace RDKit::MolStandardize::defaults Generating docs for namespace RDKit::MolStandardize::TautomerScoringFunctions Generating docs for namespace RDKit::MorganFingerprint Generating docs for compound RDKit::MorganFingerprint::MorganArguments... Generating docs for compound RDKit::MorganFingerprint::MorganAtomEnv... Generating docs for compound RDKit::MorganFingerprint::MorganAtomInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganBondInvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganEnvGenerator... Generating docs for compound RDKit::MorganFingerprint::MorganFeatureAtomInvGenerator... Generating docs for namespace RDKit::MorganFingerprints Generating docs for compound RDKit::MorganFingerprints::ss_matcher... Generating docs for namespace RDKit::PicklerOps Generating docs for namespace RDKit::PNGData Generating docs for namespace RDKit::QueryOps Generating docs for namespace RDKit::RascalMCES Generating docs for compound RDKit::RascalMCES::PartitionSet... Generating docs for compound RDKit::RascalMCES::RascalClusterOptions... Generating docs for compound RDKit::RascalMCES::RascalOptions... Generating docs for compound RDKit::RascalMCES::RascalResult... Generating docs for namespace RDKit::RascalMCES::details Generating docs for compound RDKit::RascalMCES::details::ClusNode... Generating docs for namespace RDKit::RDKitFP Generating docs for compound RDKit::RDKitFP::RDKitFPArguments... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomEnv... Generating docs for compound RDKit::RDKitFP::RDKitFPAtomInvGenerator... Generating docs for compound RDKit::RDKitFP::RDKitFPEnvGenerator... Generating docs for namespace RDKit::RDKitFPUtils Generating docs for namespace RDKit::RDTypeTag Generating docs for namespace RDKit::RDTypeTag::detail Generating docs for compound RDKit::RDTypeTag::detail::Value... Generating docs for namespace RDKit::ReactionRunnerUtils Generating docs for namespace RDKit::ReducedGraphs Generating docs for namespace RDKit::RxnOps Generating docs for namespace RDKit::ScaffoldNetwork Generating docs for compound RDKit::ScaffoldNetwork::NetworkEdge... Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetwork... Generating docs for compound RDKit::ScaffoldNetwork::ScaffoldNetworkParams... Generating docs for namespace RDKit::ScaffoldNetwork::detail Generating docs for namespace RDKit::SGroupParsing Generating docs for namespace RDKit::SGroupWriting Generating docs for namespace RDKit::SLNParse Generating docs for compound R/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:94: warning: argument 'useCountSimulation' of command @param is not found in the argument list of RDKit::TopologicalTorsion::getTopologicalTorsionGenerator(bool includeChirality=false, uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=true, std::uint32_t fpSize=2048, std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, bool ownsAtomInvGen=false) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:94: warning: The following parameter of RDKit::TopologicalTorsion::getTopologicalTorsionGenerator(bool includeChirality=false, uint32_t torsionAtomCount=4, AtomInvariantsGenerator *atomInvariantsGenerator=nullptr, bool countSimulation=true, std::uint32_t fpSize=2048, std::vector< std::uint32_t > countBounds={1, 2, 4, 8}, bool ownsAtomInvGen=false) is not documented: parameter 'countSimulation' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:32: warning: argument 'useCountSimulation' of command @param is not found in the argument list of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality, const uint32_t torsionAtomCount, const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize) /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:32: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionArguments::TopologicalTorsionArguments(const bool includeChirality, const uint32_t torsionAtomCount, const bool countSimulation, const std::vector< std::uint32_t > countBounds, const std::uint32_t fpSize) is not documented: parameter 'countSimulation' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.h:68: warning: The following parameter of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::TopologicalTorsionAtomEnv(OutputType bitId, INT_VECT atomPath) is not documented: parameter 'atomPath' /build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/FingerprintGenerator.h:123: warning: The following parameters of RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv::getBitId(FingerprintArguments *arguments, const std::vector< std::uint32_t > *atomInvariants, const std::vector< std::uint32_t > *bondInvariants, AdditionalOutput *AdditionalOutput, const bool hashResults=false, const std::uint64_t fpSize=0) const are not documented: parameter 'AdditionalOutput' parameter 'fpSize' /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/HierarchicalClusterPicker.h:48: warning: The following parameter of RDPickers::HierarchicalClusterPicker::pick(const double *distMat, unsigned int poolSize, unsigned int pickSize) const is not documented: parameter 'distMat' /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/LeaderPicker.h:48: warning: argument 'firstPicks' of command @param is not found in the argument list of RDPickers::LeaderPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/LeaderPicker.h:48: warning: argument 'seed' of command @param is not found in the argument list of RDPickers::LeaderPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/LeaderPicker.h:87: warning: The following parameters of RDPickers::LeaderPicker::pick(const double *distMat, unsigned int poolSize, unsigned int pickSize, const RDKit::INT_VECT &firstPicks, double threshold, int nthreads) const are not documented: parameter 'threshold' parameter 'nthreads' /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/MaxMinPicker.h:44: warning: argument 'firstPicks' of command @param is not found in the argument list of RDPickers::MaxMinPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const /build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/MaxMinPicker.h:44: warning: argument 'seed' of command @param is not found in the argument list of RDPickers::MaxMinPicker::lazyPick(T &func, unsigned int poolSize, unsigned int pickSize) const DKit::SLNParse::AttribType... Generating docs for namespace RDKit::SmartsWrite Generating docs for namespace RDKit::SmilesWrite Generating docs for namespace RDKit::SmilesWrite::detail Generating docs for namespace RDKit::StructureCheck Generating docs for compound RDKit::StructureCheck::AugmentedAtom... Generating docs for compound RDKit::StructureCheck::ChargeFix... Generating docs for compound RDKit::StructureCheck::IncEntry... Generating docs for compound RDKit::StructureCheck::Ligand... Generating docs for compound RDKit::StructureCheck::Neighbourhood... Generating docs for compound RDKit::StructureCheck::PathEntry... Generating docs for compound RDKit::StructureCheck::StructChecker... Generating docs for compound RDKit::StructureCheck::StructCheckerOptions... Generating docs for compound RDKit::StructureCheck::StructCheckTautomer... Generating docs for namespace RDKit::Subgraphs Generating docs for namespace RDKit::SubstanceGroupChecks Generating docs for namespace RDKit::TopologicalTorsion Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionArguments... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionAtomEnv... Generating docs for compound RDKit::TopologicalTorsion::TopologicalTorsionEnvGenerator... Generating docs for namespace RDKit::UFF Generating docs for namespace RDKit::UFF::Tools Generating docs for compound RDKit::UFF::Tools::DefaultTorsionBondSmarts... Generating docs for namespace RDKit::Utils Generating docs for compound RDKit::Utils::LocaleSwitcher... Generating docs for namespace RDKit::Utils::detail Generating docs for namespace RDLog Generating docs for namespace RDNumeric Generating docs for compound RDNumeric::Matrix... Generating docs for compound RDNumeric::SquareMatrix... Generating docs for compound RDNumeric::SymmMatrix... Generating docs for compound RDNumeric::Vector... Generating docs for namespace RDNumeric::Alignments Generating docs for namespace RDNumeric::EigenSolvers Generating docs for namespace RDPickers Generating docs for compound RDPickers::DistPicker... Generating docs for compound RDPickers::HierarchicalClusterPicker... Generating docs for compound RDPickers::LeaderPicker... Generating docs for compound RDPickers::LeaderPickerState... Generating docs for compound RDPickers::MaxMinPicker... Generating docs for compound RDPickers::MaxMinPickInfo... Generating docs for namespace RingUtils Generating docs for namespace SmilesParseOps Generating docs for namespace SmilesParseOps::detail Generating graph info page... Generating directory documentation... Generating index page... Generating page index... Generating topic index... Generating module index... Generating module member index... Generating namespace index... Generating namespace member index... Generating concept index... Generating annotated compound index... Generating alphabetical compound index... Generating hierarchical class index... Generating member index... Generating file index... Generating file member index... Generating example index... finalizing index lists... writing tag file... Running plantuml with JAVA... type lookup cache used 33473/65536 hits=200049 misses=37089 symbol lookup cache used 29447/65536 hits=269120 misses=29447 finished... (cd /build/reproducible-path/rdkit-202309.3/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202309.3 /usr/bin/make html) make[2]: Entering directory '/build/reproducible-path/rdkit-202309.3/Docs/Book' mkdir -p _build/html/cppapi cp -r /build/reproducible-path/rdkit-202309.3/Code/docs/* _build/html/cppapi cp -r C++Examples _build/html/ sphinx-build -b html -d _build/doctrees . _build/html Running Sphinx v7.2.6 WARNING: html_static_path entry '_static' does not exist myst v3.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions=set(), disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 308 source files that are out of date updating environment: [new config] 308 added, 0 changed, 0 removed reading sources... 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[ 98%] source/rdkit.utils reading sources... [ 99%] source/rdkit.utils.cactvs reading sources... [ 99%] source/rdkit.utils.chemutils reading sources... [ 99%] source/rdkit.utils.fileutils reading sources... [100%] source/rdkit.utils.listutils reading sources... [100%] source/rdkit.utils.spiral /build/reproducible-path/rdkit-202309.3/Docs/Book/BackwardsIncompatibleChanges.md:49: WARNING: duplicate label changes to canonicalization, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/BackwardsIncompatibleChanges.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Cartridge.md:732: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/BackwardsIncompatibleChanges.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst:1733: WARNING: Title underline too short. Contiguous Rotatable Bonds ========================= /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst:1733: WARNING: Title underline too short. Contiguous Rotatable Bonds ========================= /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst:7: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cartridge.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst:10: WARNING: duplicate label what is this?, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cartridge.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst:2501: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cartridge.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md:3: WARNING: duplicate label what is this?, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md:305: WARNING: duplicate label writing molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:358: WARNING: Explicit markup ends without a blank line; unexpected unindent. /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:12: WARNING: duplicate label what is this?, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:30: WARNING: duplicate label reading single molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:104: WARNING: duplicate label reading sets of molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:208: WARNING: duplicate label writing molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:390: WARNING: duplicate label writing sets of molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:431: WARNING: duplicate label working with molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:435: WARNING: duplicate label looping over atoms and bonds, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:478: WARNING: duplicate label ring information, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:547: WARNING: duplicate label modifying molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:615: WARNING: duplicate label working with 2d molecules: generating depictions, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:665: WARNING: duplicate label working with 3d molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:788: WARNING: duplicate label preserving molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:844: WARNING: duplicate label drawing molecules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:1083: WARNING: duplicate label substructure searching, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:1148: WARNING: duplicate label stereochemistry in substructure matches, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:1186: WARNING: duplicate label atom map indices in smarts, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:3425: WARNING: duplicate label the sssr problem, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInC++.md /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst:3829: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md:226: WARNING: Non-consecutive header level increase; H4 to H6 [myst.header] /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md:450: WARNING: duplicate label recommended extras, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md:494: WARNING: duplicate label testing the build (optional, but recommended), other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md:499: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/Overview.md:145: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Install.md /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:1563: ERROR: Malformed table. Text in column margin in table line 15. ======================== ========= Alkyl (ALK) alkyl side chains (not an H atom) AlkylH (ALH) alkyl side chains including an H atom Alkenyl (AEL) alkenyl side chains AlkenylH (AEH) alkenyl side chains or an H atom Alkynyl (AYL) alkynyl side chains AlkynylH (AYH) alkynyl side chains or an H atom Alkoxy (AOX) alkoxy side chains AlkoxyH (AOH) alkoxy side chains or an H atom Carbocyclic (CBC) carbocyclic side chains CarbocyclicH (CBH) carbocyclic side chains or an H atom Carbocycloalkyl (CAL) cycloalkyl side chains CarbocycloalkylH (CAH) cycloalkyl side chains or an H atom Carbocycloalkenyl (CEL) cycloalkenyl side chains CarbocycloalkenylH (CEH) cycloalkenyl side chains or an H atom Carboaryl (ARY) all-carbon aryl side chains CarboarylH (ARH) all-carbon aryl side chains or an H atom Cyclic (CYC) cyclic side chains CyclicH (CYH) cyclic side chains or an H atom Acyclic(ACY) acyclic side chains (not an H atom) AcyclicH (ACH) acyclic side chains or an H atom Carboacyclic (ABC) all-carbon acyclic side chains CarboacyclicH (ABH) all-carbon acyclic side chains or an H atom Heteroacyclic (AHC) acyclic side chains with at least one heteroatom HeteroacyclicH (AHH) acyclic side chains with at least one heteroatom or an H atom Heterocyclic (CHC) cyclic side chains with at least one heteroatom HeterocyclicH (CHH) cyclic side chains with at least one heteroatom or an H atom Heteroaryl (HAR) aryl side chains with at least one heteroatom HeteroarylH (HAH) aryl side chains with at least one heteroatom or an H atom NoCarbonRing (CXX) ring containing no carbon atoms NoCarbonRingH (CXH) ring containing no carbon atoms or an H atom Group (G) any group (not H atom) GroupH (GH) any group (including H atom) Group* (G*) any group with a ring closure GroupH* (GH*) any group with a ring closure or an H atom ======================== ========= /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:1664: WARNING: Enumerated list ends without a blank line; unexpected unindent. /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:180: WARNING: duplicate label aromaticity, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:385: WARNING: duplicate label dative bonds, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:536: WARNING: duplicate label stereochemistry, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:1264: WARNING: duplicate label chemical features, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:2200: WARNING: duplicate label introduction, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Cookbook.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:2298: WARNING: duplicate label rdkit fingerprints, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/GettingStartedInPython.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/RDKit_Book.rst:2464: WARNING: duplicate label license, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/Overview.md WARNING: autodoc: failed to import module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Avalon' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Avalon.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Avalon.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.rst WARNING: autodoc: failed to import module 'Avalon.pyAvalonTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst:28: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Avalon.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst:113: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Avalon.rst WARNING: autodoc: failed to import module 'Chem.AllChem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.AtomPairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.AtomPairs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.AtomPairs.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst WARNING: autodoc: failed to import module 'Chem.AtomPairs.Pairs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.AtomPairs.Sheridan' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.AtomPairs.Torsions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.AtomPairs.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.BRICS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.BuildFragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.ChemUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.AtomPairs.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.ChemUtils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.AtomPairs.rst WARNING: autodoc: failed to import module 'Chem.ChemUtils.AlignDepict' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemUtils.BulkTester' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemUtils.DescriptorUtilities' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemUtils.SDFToCSV' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemUtils.TemplateExpand' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ChemicalForceFields' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Crippen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Descriptors3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Draw.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.ChemUtils.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Draw.rst:21: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.ChemUtils.rst WARNING: autodoc: failed to import module 'Chem.Draw.IPythonConsole' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.MolDrawing' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.SimilarityMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.aggCanvas' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.cairoCanvas' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.canvasbase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.mplCanvas' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.qtCanvas' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Draw.rdMolDraw2DQt' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.EState.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Draw.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.EState.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Draw.rst WARNING: autodoc: failed to import module 'Chem.EState.AtomTypes' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EState.EState' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EState.EState_VSA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EState.Fingerprinter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EnumerateHeterocycles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.EnumerateStereoisomers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FastSDMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FeatFinderCLI' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.FeatMaps.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.EState.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.FeatMaps.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.EState.rst WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapParser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapPoint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMapUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FeatMaps.FeatMaps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Features' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Features.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.FeatMaps.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Features.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.FeatMaps.rst WARNING: autodoc: failed to import module 'Chem.Features.FeatDirUtilsRD' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Features.ShowFeats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FilterCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fingerprints.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Features.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fingerprints.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Features.rst WARNING: autodoc: failed to import module 'Chem.Fingerprints.ClusterMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fingerprints.DbFpSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fingerprints.FingerprintMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fingerprints.MolSimilarity' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fingerprints.SimilarityScreener' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fraggle' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fraggle.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fingerprints.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fraggle.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fingerprints.rst WARNING: autodoc: failed to import module 'Chem.Fraggle.FraggleSim' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FragmentCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FragmentMatcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Fragments' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.FunctionalGroups' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.GraphDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Graphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Lipinski' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MACCSkeys' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MCS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolDb.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fraggle.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolDb.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Fraggle.rst WARNING: autodoc: failed to import module 'Chem.MolDb.FingerprintUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolDb.Loader' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_orig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolDb.Loader_sa' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolKey.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolDb.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolKey.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolDb.rst WARNING: autodoc: failed to import module 'Chem.MolKey.InchiInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolKey.MolKey' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolStandardize.rst:6: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolKey.rst WARNING: autodoc: failed to import module 'Chem.MolStandardize.rdMolStandardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.MolSurf' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.PandasTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.PeriodicTable' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm2D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolStandardize.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm2D.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.MolKey.rst WARNING: autodoc: failed to import module 'Chem.Pharm2D.Generate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm2D.Gobbi_Pharm2D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm2D.Matcher' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm2D.SigFactory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm2D.Utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm3D' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm3D.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm2D.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm3D.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm2D.rst WARNING: autodoc: failed to import module 'Chem.Pharm3D.EmbedLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm3D.ExcludedVolume' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Pharm3D.Pharmacophore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.PropertyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.PyMol' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.QED' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Randomize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Recap' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.RegistrationHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.SATIS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.SaltRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Scaffolds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Scaffolds.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm3D.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Scaffolds.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Pharm3D.rst WARNING: autodoc: failed to import module 'Chem.Scaffolds.MurckoScaffold' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Scaffolds.rdScaffoldNetwork' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.ShowMols' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.SimpleEnum' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Scaffolds.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.SimpleEnum.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Scaffolds.rst WARNING: autodoc: failed to import module 'Chem.SimpleEnum.Enumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.SpacialScore' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Subshape' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Subshape.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.SimpleEnum.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Subshape.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.SimpleEnum.rst WARNING: autodoc: failed to import module 'Chem.Subshape.BuilderUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeAligner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeBuilder' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Subshape.SubshapeObjects' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Suppliers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Suppliers.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Subshape.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Suppliers.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Subshape.rst WARNING: autodoc: failed to import module 'Chem.Suppliers.DbMolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.Suppliers.MolSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.TemplateAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.TorsionFingerprints' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.fmcs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Suppliers.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.fmcs.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.Suppliers.rst WARNING: autodoc: failed to import module 'Chem.fmcs.fmcs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.inchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdAbbreviations' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdCIPLabeler' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdChemReactions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst:2: WARNING: Title underline too short. rdkit.Chem.rdChemicalFeatures module ================================= WARNING: autodoc: failed to import module 'Chem.rdChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdCoordGen' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdDepictor' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdDeprotect' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdDetermineBonds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdDistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdEHTTools' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdFMCS' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdFingerprintGenerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst:2: WARNING: Title underline too short. rdkit.Chem.rdForceFieldHelpers module ================================= WARNING: autodoc: failed to import module 'Chem.rdForceFieldHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdFreeSASA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMHFPFingerprint' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMMPA' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMolAlign' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMolCatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst:2: WARNING: Title underline too short. rdkit.Chem.rdMolChemicalFeatures module ================================= WARNING: autodoc: failed to import module 'Chem.rdMolChemicalFeatures' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst:2: WARNING: Title underline too short. rdkit.Chem.rdMolDescriptors module ================================= WARNING: autodoc: failed to import module 'Chem.rdMolDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMolEnumerator' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMolHash' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst:2: WARNING: Title underline too short. rdkit.Chem.rdMolInterchange module ================================= WARNING: autodoc: failed to import module 'Chem.rdMolInterchange' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdMolTransforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst:2: WARNING: Title underline too short. rdkit.Chem.rdPartialCharges module ================================= WARNING: autodoc: failed to import module 'Chem.rdPartialCharges' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst:2: WARNING: Title underline too short. rdkit.Chem.rdRGroupDecomposition module ================================= WARNING: autodoc: failed to import module 'Chem.rdRGroupDecomposition' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdReducedGraphs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdSLNParse' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdShapeHelpers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst:2: WARNING: Title underline too short. rdkit.Chem.rdSubstructLibrary module ================================= WARNING: autodoc: failed to import module 'Chem.rdSubstructLibrary' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdTautomerQuery' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdchem' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdfiltercatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdfragcatalog' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdinchi' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdmolfiles' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdmolops' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdqueries' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Chem.rdtrajectory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataManip' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.fmcs.rst WARNING: autodoc: failed to import module 'DataManip.Metric' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.Metric.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.fmcs.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.Metric.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.rst WARNING: autodoc: failed to import module 'DataManip.Metric.rdMetricMatrixCalc' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataStructs.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.Metric.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataStructs.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.Metric.rst WARNING: autodoc: failed to import module 'DataStructs.BitEnsemble' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.BitEnsembleDb' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.BitUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.LazySignature' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.TopNContainer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.VectCollection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DataStructs.cDataStructs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Dbase.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataStructs.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Dbase.rst:18: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataStructs.rst WARNING: autodoc: failed to import module 'Dbase.DbConnection' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.DbInfo' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.DbModule' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.DbReport' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.DbResultSet' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.DbUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Dbase.StorageUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'DistanceGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DistanceGeometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Dbase.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DistanceGeometry.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Dbase.rst WARNING: autodoc: failed to import module 'DistanceGeometry.DistGeom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ForceField.rst:5: WARNING: Block quote ends without a blank line; unexpected unindent. WARNING: autodoc: failed to import module 'ForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ForceField.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DistanceGeometry.rst WARNING: autodoc: failed to import module 'ForceField.rdForceField' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Geometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Geometry.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DistanceGeometry.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Geometry.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ForceField.rst WARNING: autodoc: failed to import module 'Geometry.rdGeometry' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.DataManip.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst:24: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Geometry.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst:38: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Geometry.rst WARNING: autodoc: failed to import module 'ML.AnalyzeComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.BuildComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Cluster.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Cluster.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst WARNING: autodoc: failed to import module 'ML.Cluster.Butina' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.ClusterUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.ClusterVis' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.Clustering' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.Clusters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.Murtagh' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.Resemblance' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Cluster.Standardize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Composite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Composite.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Cluster.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Composite.rst:14: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Cluster.rst WARNING: autodoc: failed to import module 'ML.Composite.AdjustComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Composite.BayesComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Composite.Composite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.CompositeRun' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Data.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Composite.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Data.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Composite.rst WARNING: autodoc: failed to import module 'ML.Data.DataUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.FindQuantBounds' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.MLData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.Quantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.SplitData' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.Stats' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.Transforms' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Data.cQuantize' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.DecTree.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Data.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.DecTree.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Data.rst WARNING: autodoc: failed to import module 'ML.DecTree.BuildQuantTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.BuildSigTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.CrossValidate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.DecTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.Forest' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.ID3' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.PruneTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.QuantTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.SigTree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.Tree' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.TreeUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.DecTree.TreeVis' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Descriptors.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.DecTree.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Descriptors.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.DecTree.rst WARNING: autodoc: failed to import module 'ML.Descriptors.CompoundDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Descriptors.Descriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Descriptors.MoleculeDescriptors' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Descriptors.Parser' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.EnrichPlot' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.GrowComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.InfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.InfoTheory.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Descriptors.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.InfoTheory.rst:15: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Descriptors.rst WARNING: autodoc: failed to import module 'ML.InfoTheory.BitClusterer' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.InfoTheory.BitRank' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.InfoTheory.entropy' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst:2: WARNING: Title underline too short. rdkit.ML.InfoTheory.rdInfoTheory module ====================================== WARNING: autodoc: failed to import module 'ML.InfoTheory.rdInfoTheory' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.KNN' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.KNN.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.InfoTheory.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.KNN.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.InfoTheory.rst WARNING: autodoc: failed to import module 'ML.KNN.CrossValidate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.KNN.DistFunctions' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.KNN.KNNClassificationModel' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.KNN.KNNModel' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.KNN.KNNRegressionModel' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.MLUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.MLUtils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.KNN.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.MLUtils.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.KNN.rst WARNING: autodoc: failed to import module 'ML.MLUtils.VoteImg' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.MatOps' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.ModelPackage' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.ModelPackage.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.MLUtils.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.ModelPackage.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.MLUtils.rst WARNING: autodoc: failed to import module 'ML.ModelPackage.PackageUtils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.ModelPackage.Packager' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.NaiveBayes' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.NaiveBayes.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.ModelPackage.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.NaiveBayes.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.ModelPackage.rst WARNING: autodoc: failed to import module 'ML.NaiveBayes.ClassificationModel' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.NaiveBayes.CrossValidate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Neural' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Neural.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.NaiveBayes.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Neural.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.NaiveBayes.rst WARNING: autodoc: failed to import module 'ML.Neural.ActFuncs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Neural.CrossValidate' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Neural.NetNode' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Neural.Network' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Neural.Trainers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.SLT' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.SLT.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Neural.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.SLT.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Neural.rst WARNING: autodoc: failed to import module 'ML.SLT.Risk' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Scoring.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.SLT.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Scoring.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.SLT.rst WARNING: autodoc: failed to import module 'ML.Scoring.Scoring' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.ScreenComposite' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'ML.files' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'Numerics' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Numerics.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Scoring.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Numerics.rst:12: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.Scoring.rst WARNING: autodoc: failed to import module 'Numerics.rdAlignment' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'RDConfig' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'RDLogger' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'RDPaths' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'RDRandom' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'SimDivFilters' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.SimDivFilters.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Numerics.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.SimDivFilters.rst:13: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Numerics.rst WARNING: autodoc: failed to import module 'SimDivFilters.SimilarityPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'SimDivFilters.rdSimDivPickers' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'TestRunner' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.rst:5: WARNING: duplicate label subpackages, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.ML.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.rst:12: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.SimDivFilters.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.rst:23: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.SimDivFilters.rst WARNING: autodoc: failed to import module 'VLib.Filter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.Node' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.NodeLib.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.NodeLib.rst:19: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.rst WARNING: autodoc: failed to import module 'VLib.NodeLib.DbMolSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.DbPickleSupplier' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SDSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsMolFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SmartsRemover' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesDupeFilter' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesOutput' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.NodeLib.SmilesSupply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.Output' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.Supply' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'VLib.Transform' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'rdBase' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'six' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'utils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.utils.rst:5: WARNING: duplicate label submodules, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.NodeLib.rst /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.utils.rst:16: WARNING: duplicate label module contents, other instance in /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.VLib.NodeLib.rst WARNING: autodoc: failed to import module 'utils.cactvs' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'utils.chemutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'utils.fileutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'utils.listutils' from module 'rdkit'; the following exception was raised: No module named 'rdkit' WARNING: autodoc: failed to import module 'utils.spiral' from module 'rdkit'; the following exception was raised: No module named 'rdkit' looking for now-outdated files... none found pickling environment... done checking consistency... /build/reproducible-path/rdkit-202309.3/Docs/Book/data/README.md: WARNING: document isn't included in any toctree /build/reproducible-path/rdkit-202309.3/Docs/Book/source/rdkit.Chem.SpacialScore.rst: WARNING: document isn't included in any toctree done preparing documents... done copying assets... copying downloadable files... [ 5%] C++Examples/example1.cpp copying downloadable files... [ 11%] C++Examples/example2.cpp copying downloadable files... [ 16%] C++Examples/example3.cpp copying downloadable files... [ 21%] C++Examples/example4.cpp copying downloadable files... [ 26%] C++Examples/example5.cpp copying downloadable files... [ 32%] C++Examples/example6.cpp copying downloadable files... [ 37%] C++Examples/example7.cpp copying downloadable files... [ 42%] C++Examples/example8.cpp copying downloadable files... [ 47%] C++Examples/example9.cpp copying downloadable files... [ 53%] ../Code/GraphMol/Bond.h copying downloadable files... [ 58%] C++Examples/example10.cpp copying downloadable files... [ 63%] C++Examples/CMakeLists.txt copying downloadable files... [ 68%] C++Examples/example11.cpp copying downloadable files... [ 74%] C++Examples/example12.cpp copying downloadable files... [ 79%] C++Examples/example13.cpp copying downloadable files... [ 84%] C++Examples/example17.cpp copying downloadable files... [ 89%] C++Examples/example14.cpp copying downloadable files... [ 95%] C++Examples/example15.cpp copying downloadable files... [100%] C++Examples/example16.cpp copying static files... done copying extra files... done done writing output... [ 0%] BackwardsIncompatibleChanges writing output... [ 1%] Cartridge writing output... [ 1%] Cookbook writing output... [ 1%] GettingStartedInC++ writing output... [ 2%] GettingStartedInPython writing output... [ 2%] Install writing output... [ 2%] Overview writing output... [ 3%] RDKit_Book writing output... [ 3%] api-docs writing output... [ 3%] data/README writing output... [ 4%] index writing output... [ 4%] source/rdkit writing output... [ 4%] source/rdkit.Avalon writing output... [ 5%] source/rdkit.Avalon.pyAvalonTools writing output... [ 5%] source/rdkit.Chem writing output... [ 5%] source/rdkit.Chem.AllChem writing output... [ 6%] source/rdkit.Chem.AtomPairs writing output... [ 6%] source/rdkit.Chem.AtomPairs.Pairs writing output... 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[100%] images/query_atoms.png dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 444 warnings. The HTML pages are in _build/html. Build finished. The HTML pages are in _build/html. make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/Docs/Book' # (cd /build/reproducible-path/rdkit-202309.3/Docs/Book; RDBASE=/build/reproducible-path/rdkit-202309.3 /usr/bin/make latexpdf) make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' cp -r rdkit obj-*/ find /build/reproducible-path/rdkit-202309.3 -name rdchem.so /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/rdchem.so #export RDBASE=/build/reproducible-path/rdkit-202309.3 PYTHONPATH=/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu//lib:" PYTHONPATH=/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/:/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu//lib:" dh_auto_test cd obj-aarch64-linux-gnu && make -j12 test ARGS\+=--verbose ARGS\+=-j12 make[2]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j12 UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/DartConfiguration.tcl Add coverage exclude regular expressions. UpdateCTestConfiguration from :/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: testCoordGen 1: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen/testCoordGen 1: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen 1: Test timeout computed to be: 1500 test 2 Start 2: pyCoordGen 2: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/External/CoordGen/Wrap/testCoordGen.py" 2: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/External/CoordGen/Wrap 2: Test timeout computed to be: 1500 test 3 Start 3: testDict 3: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/testDict 3: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral 3: Test timeout computed to be: 1500 test 4 Start 4: testRDValue 4: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/testRDValue 4: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral 4: Test timeout computed to be: 1500 test 5 Start 5: testConcurrentQueue 5: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/testConcurrentQueue 5: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral 5: Test timeout computed to be: 1500 test 6 Start 6: dictTestsCatch 6: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/dictTestsCatch 6: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral 6: Test timeout computed to be: 1500 test 7 Start 7: logTestsCatch 7: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral/logTestsCatch 7: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/RDGeneral 7: Test timeout computed to be: 1500 test 8 Start 8: testDataStructs 8: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/testDataStructs 8: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs 8: Test timeout computed to be: 1500 test 9 Start 9: testFPB 9: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/testFPB 9: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs 9: Test timeout computed to be: 1500 test 10 Start 10: testMultiFPB 10: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/testMultiFPB 10: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs 10: Test timeout computed to be: 1500 test 11 Start 11: pyBV 11: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testBV.py" 11: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 11: Test timeout computed to be: 1500 test 12 Start 12: pyDiscreteValueVect 12: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testDiscreteValueVect.py" 12: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 12: Test timeout computed to be: 1500 1: core 1: RDKit 2D 1: 1: 4 4 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6496 0.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3926 -0.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4726 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3396 -0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2048 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.3590 -0.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.6160 0.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 7 7 0 0 0 0 0 0 0 0999 V2000 1: 0.6824 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.1850 -0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.6824 -0.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1850 0.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.2846 -0.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2790 -1.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5898 -2.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4530 -1.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4476 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5788 -0.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5732 0.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2956 1.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3012 2.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1700 2.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1590 0.7434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.1534 -0.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 8 11 1 0 1: 11 12 1 0 1: 12 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 10 10 0 0 0 0 0 0 0 0999 V2000 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 1 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: 1.7868 0.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6532 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5187 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.5180 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.6515 -0.7209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7860 -0.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9195 -0.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0539 -0.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8124 -0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.6780 -0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5445 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4101 -0.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.2764 -0.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1421 -0.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0547 0.7811 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.9211 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 16 16 0 0 0 0 0 0 0 0999 V2000 1: -1.2984 -0.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4338 0.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4366 1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4280 1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2956 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2984 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4338 -0.2488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.4366 -1.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4280 -1.7512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2956 -1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 8 15 1 0 1: 15 16 1 0 1: 16 1 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 9 10 0 0 0 0 0 0 0 0999 V2000 1: 0.6718 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5374 -0.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5366 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6702 1.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1954 0.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1946 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1454 -0.8098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7338 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1466 0.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 1 1 0 1: 9 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: -0.5657 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4321 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2977 -0.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2969 -1.9300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1625 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4329 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5673 1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5681 2.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2975 2.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2975 2.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7969 3.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2991 0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.2999 -0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2513 -0.7362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5609 -1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5393 -1.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8923 -2.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8381 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2499 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 19 21 0 0 0 0 0 0 0 0999 V2000 1: 0.5360 -0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2680 -1.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4020 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4021 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5360 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3300 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8300 3.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.3300 -0.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 -0.7457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.5900 -1.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9208 -2.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5682 -1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8686 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.2812 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 2 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 1 0 1: 7 12 1 0 1: 12 13 1 0 1: 13 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 15 17 1 0 1: 14 18 1 0 1: 18 19 1 0 1: 13 1 1 0 1: 19 12 1 0 1: 11 9 1 0 1: M END 1: 1: core 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: 1.2134 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3444 1.0006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5186 -0.5010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3856 -0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: M END 1: 1: core+sidechain 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: -1.7333 -0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8661 -0.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8641 0.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0011 -0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8659 -0.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8679 0.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7309 -0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: templated 1: RDKit 2D 1: 1: 7 6 0 0 0 0 0 0 0 0999 V2000 1: 1.2227 -0.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3464 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3350 1.0058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5185 -0.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3902 -0.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2506 -0.5314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4014 0.9784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 5 7 1 0 1: M END 1: 1: test1 1: RDKit 2D 1: 1: 12 12 0 0 0 0 0 0 0 0999 V2000 1: 0.3628 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5014 1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3692 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.2334 1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1012 0.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.3728 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.5086 -0.9565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3594 -0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2234 -0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0912 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.0948 0.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.9554 -0.9689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 2 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 3 6 2 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 0 1: 10 12 1 0 1: 8 1 1 0 1: M END 1: 1: test2 1: RDKit 2D 1: 1: 5 4 0 0 0 0 0 0 0 0999 V2000 1: -0.4980 0.7210 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0004 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8678 -0.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5020 0.7182 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8642 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 1 0 1: 2 5 1 0 1: M END 1: 3: [12:24:52] Testing Github940: property dictionaries leaking memory 3: [12:24:52] done 3: Testing RDValue 3: Testing RDAny 3: dict set int vect 3: dict get int vect 3: static boost any:0.053192 s 4: -- running tests -- 4: min: -2147483648 -2147483648 4: min: 0 0 4: min: 2.22507e-308 2.22507e-308 4: min: 1.17549e-38 1.17549e-38 4: min: 0 0 4: == int 4: == double 4: == float 4: == unsigned int 4: == bool 4: == std::string 5: [12:24:52] 5: ----------------------------------------- 5: [12:24:52] Finished: testPushAndPop() 5: [12:24:52] 5: ----------------------------------------- 5: [12:24:52] 5: ----------------------------------------- 6: Randomness seeded to: 981440702 6: =============================================================================== 6: All tests passed (32 assertions in 2 test cases) 6: 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: Randomness seeded to: 3453695633 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: [12:24:52] should not be silent 7: =============================================================================== 7: All tests passed (26 assertions in 3 test cases) 7: 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 8: except 8: 10, 11, 14, 8: t1: 10, 11, 14, 8: t2: 10, 11, 15, 17, 8: t1|t2: 10, 11, 14, 15, 17, 8: t1&t2: 10, 11, 8: t1^t2: 14, 15, 17, 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 8: except 1/222 Test #4: testRDValue ............................ Passed 0.18 sec 2/222 Test #6: dictTestsCatch ......................... Passed 0.14 sec 3/222 Test #7: logTestsCatch .......................... Passed 0.13 sec 4/222 Test #8: testDataStructs ........................ Passed 0.11 sec 5/222 Test #9: testFPB ................................ Passed 0.08 sec test 13 Start 13: pySparseIntVect 13: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testSparseIntVect.py" 13: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 13: Test timeout computed to be: 1500 test 14 Start 14: pyFPB 14: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataStructs/Wrap/testFPB.py" 14: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataStructs/Wrap 14: Test timeout computed to be: 1500 test 15 Start 15: testTransforms 15: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testTransforms 15: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry 15: Test timeout computed to be: 1500 test 16 Start 16: testGrid 16: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/testGrid 16: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry 16: Test timeout computed to be: 1500 test 17 Start 17: geometryTestsCatch 17: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/geometryTestsCatch 17: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry 17: Test timeout computed to be: 1500 15: **************************************** 15: testPointND 15: **************************************** 15: testPointOps3D 15: **************************************** 15: testPointOps2D 15: **************************************** 15: test12D 15: ref1: 3.55463 1.3476 ref2: 1.48481 1.3495 15: pt1: 4.25056 3.0079 pt2: 2.20532 3.36268 15: **************************************** 15: test23D 15: **************************************** 15: test3MatMultiply 15: Pt1: 1 0 0 Pt2: 2 0 0 15: -Pt1: -1 -0 -0 15: tp1: 0 0 0 tp2: 0 0 0 15: tp1: 0 0 0 tp2: 0 0 0 15: tp1: 0 0 3 tp2: 0 0 3 15: npt1: 0 0 3 npt2: 0 0 4 15: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4 15: **************************************** 15: testFromQuaternion 15: **************************************** 16: *********************************************************** 16: Testing Grid 16: --------------------------------- 16: testUniformGrid1 16: 16: --------------------------------- 16: testUniformGrid2 16: 16: --------------------------------- 16: testUniformGridPickling 16: 16: --------------------------------- 16: testGridOps 16: 16: --------------------------------- 16: testUniformGridIndexing 16: 6/222 Test #10: testMultiFPB ........................... Passed 0.17 sec 7/222 Test #15: testTransforms ......................... Passed 0.08 sec 8/222 Test #16: testGrid ............................... Passed 0.05 sec test 18 Start 18: testPyGeometry 18: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Geometry/Wrap/testGeometry.py" 18: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Geometry/Wrap 18: Test timeout computed to be: 1500 test 19 Start 19: testMatrices 19: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testMatrices 19: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics 19: Test timeout computed to be: 1500 test 20 Start 20: testConrec 20: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/testConrec 20: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics 20: Test timeout computed to be: 1500 17: Randomness seeded to: 1819051725 17: =============================================================================== 17: All tests passed (50 assertions in 5 test cases) 17: 1: cyclosporine a 1: RDKit 2D 1: 1: 85 85 0 0 0 0 0 0 0 0999 V2000 1: 1.4840 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6174 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6176 -2.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4860 -2.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4912 -3.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3504 -2.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.3352 -1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1902 -0.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.1580 0.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0642 -1.2607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9260 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.9144 0.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7766 0.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0008 0.8409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.8596 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.8162 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2038 1.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.2560 3.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5280 4.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7128 4.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.8530 5.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.7676 4.5077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0820 5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9744 4.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8344 5.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.9792 3.6203 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.8192 3.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7974 3.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7998 4.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7790 3.0789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8812 2.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.1202 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.4194 2.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.0590 0.6211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8626 0.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.8096 -0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6470 -1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.9122 -1.3587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8776 -2.3565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9982 -2.8425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1382 -2.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9886 -3.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1202 -4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2526 -3.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6116 -4.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2494 -2.8505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.1228 -5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2584 -5.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6092 -5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.2624 -6.8511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6018 -7.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5982 -8.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.4624 -8.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9906 -5.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.8520 -4.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7288 -2.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.7098 -3.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6032 -2.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.0646 -0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7362 0.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5794 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5618 -0.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4498 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.1628 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.7698 1.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5952 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.4896 1.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.5292 3.1711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.6054 3.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7186 2.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0328 6.0847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4396 4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4580 5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3220 6.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5836 6.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.2682 3.0557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.6630 2.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.5876 2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.5648 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.7968 -1.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.6786 -0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 7.5218 -1.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.7252 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.0970 -2.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2220 -2.8307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 3 2 1 1 1: 3 4 1 0 1: 4 5 2 0 1: 4 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 2 0 1: 8 10 1 0 1: 10 11 1 0 1: 11 12 1 0 1: 12 13 2 0 1: 12 14 1 0 1: 14 15 1 0 1: 15 16 1 0 1: 16 17 2 0 1: 16 18 1 0 1: 18 19 1 0 1: 19 20 1 0 1: 20 21 2 0 1: 20 22 1 0 1: 22 23 1 0 1: 23 24 1 0 1: 24 25 2 0 1: 24 26 1 0 1: 26 27 1 0 1: 27 28 1 0 1: 28 29 2 0 1: 28 30 1 0 1: 30 31 1 0 1: 31 32 1 0 1: 32 33 2 0 1: 32 34 1 0 1: 34 35 1 0 1: 35 36 1 0 1: 36 37 2 0 1: 36 38 1 0 1: 38 39 1 0 1: 39 40 1 0 1: 40 41 2 0 1: 40 42 1 0 1: 43 42 1 6 1: 43 44 1 0 1: 44 45 2 0 1: 44 46 1 0 1: 43 47 1 0 1: 47 48 1 0 1: 48 49 1 6 1: 48 50 1 0 1: 50 51 1 0 1: 51 52 2 0 1: 52 53 1 0 1: 47 54 1 1 1: 42 55 1 0 1: 39 56 1 6 1: 56 57 1 0 1: 56 58 1 0 1: 38 59 1 0 1: 35 60 1 6 1: 60 61 1 0 1: 61 62 1 0 1: 61 63 1 0 1: 34 64 1 0 1: 31 65 1 6 1: 65 66 1 0 1: 66 67 1 0 1: 66 68 1 0 1: 30 69 1 0 1: 27 70 1 6 1: 23 71 1 6 1: 19 72 1 6 1: 72 73 1 0 1: 73 74 1 0 1: 73 75 1 0 1: 18 76 1 0 1: 15 77 1 6 1: 77 78 1 0 1: 77 79 1 0 1: 11 80 1 6 1: 80 81 1 0 1: 81 82 1 0 1: 81 83 1 0 1: 10 84 1 0 1: 6 85 1 0 1: 46 3 1 0 1: M END 1: 1: single-double 1: RDKit 2D 1: 1: 17 16 0 0 0 0 0 0 0 0999 V2000 1: -6.9282 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -6.0618 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -5.1962 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -4.3298 0.2682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -3.4642 -0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.5978 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.7322 -0.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.8658 0.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.0002 -0.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.8662 0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.7318 -0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.5982 0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.4638 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 4.3302 0.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 5.1958 -0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.0622 0.2598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: 6.9278 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 2 3 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 9 10 1 0 1: 10 11 2 3 1: 11 12 1 0 1: 12 13 2 3 1: 13 14 1 0 1: 14 15 2 3 1: 15 16 1 0 1: 16 17 1 0 1: M END 1: 1: cis-trans 1: RDKit 2D 1: 1: 10 9 0 0 0 0 0 0 0 0999 V2000 1: -3.6370 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1: -2.7706 -0.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.9050 -0.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.0386 -0.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1730 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.6934 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5590 -0.1988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.5582 0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 2.4238 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 3.2902 0.8026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 2 0 1: 3 4 1 0 1: 4 5 2 0 1: 5 6 1 0 1: 6 7 2 0 1: 7 8 1 0 1: 8 9 2 0 1: 9 10 1 0 1: M END 1: 19: [12:24:52] ----------------------------------------- 19: [12:24:52] Testing RDNumerics: vectors and matrices Code 19: [12:24:52] --------------------------------------- 19: [12:24:52] test1Vector 19: [12:24:52] --------------------------------------- 19: [12:24:52] test2Matrix 19: [12:24:52] --------------------------------------- 19: [12:24:52] test3SquareMatrix 19: [12:24:52] --------------------------------------- 19: [12:24:52] test4SymmMatrix 9/222 Test #17: geometryTestsCatch ..................... Passed 0.10 sec 10/222 Test #19: testMatrices ........................... Passed 0.06 sec test 21 Start 21: testAlignment 21: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/testAlignment 21: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment 21: Test timeout computed to be: 1500 test 22 Start 22: pyAlignment 22: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/Numerics/Alignment/Wrap/testAlignment.py" 22: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Alignment/Wrap 22: Test timeout computed to be: 1500 1: admntn 1: RDKit 2D 1: 1: 10 12 0 0 0 0 0 0 0 0999 V2000 1: 1.3505 -0.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.5267 -1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4629 -1.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.7523 0.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -1.4741 0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.4761 0.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.3505 1.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1.0611 0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 0.0643 0.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: -0.1877 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 3 4 1 0 1: 4 5 1 0 1: 5 6 1 0 1: 6 7 1 0 1: 7 8 1 0 1: 8 9 1 0 1: 6 10 1 0 1: 8 1 1 0 1: 9 4 1 0 1: 10 2 1 0 1: M END 1: 1: github 4845 - nan coordinates but no crash 1: RDKit 2D 1: 1: 42 44 0 0 0 0 0 0 0 0999 V2000 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan O 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan C 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: nan nan nan H 0 0 0 0 0 0 0 0 0 0 0 0 1: 1 2 1 0 1: 2 3 1 0 1: 2 4 2 0 1: 4 5 1 0 1: 5 6 3 0 1: 6 7 1 0 1: 7 8 2 0 1: 8 9 1 0 1: 9 10 3 0 1: 10 11 1 0 1: 11 12 2 0 1: 12 13 1 0 1: 13 14 3 0 1: 14 15 1 0 1: 15 16 2 0 1: 16 17 1 0 1: 16 18 1 0 1: 12 19 1 0 1: 19 20 2 0 1: 20 21 1 0 1: 20 22 1 0 1: 19 23 1 0 1: 23 24 3 0 1: 24 25 1 0 1: 25 26 1 0 1: 26 27 2 0 1: 27 28 2 0 1: 26 29 1 0 1: 29 30 3 0 1: 8 31 1 0 1: 31 32 2 0 1: 32 33 1 0 1: 32 34 1 0 1: 31 35 1 0 1: 35 36 3 0 1: 36 37 1 0 1: 37 38 2 0 1: 37 39 1 0 1: 39 40 2 0 1: 40 41 1 0 1: 40 42 1 0 1: 39 4 1 0 1: 15 7 1 0 1: 30 11 1 0 1: M END 1: 20: Randomness seeded to: 2165858414 20: 20: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 20: testConrec is a Catch2 v3.4.0 host application. 20: Run with -? for options 20: 20: ------------------------------------------------------------------------------- 20: connectLineSegments 20: basics 20: ------------------------------------------------------------------------------- 20: ./Code/Numerics/testConrec.cpp:90 20: ............................................................................... 20: 20: ./Code/Numerics/testConrec.cpp:130: FAILED: 20: CHECK( contours.size() == 74 ) 20: with expansion: 20: 177 == 74 20: 20: =============================================================================== 20: test cases: 3 | 2 passed | 1 failed 20: assertions: 179 | 178 passed | 1 failed 20: 21: ----------------------------------------- 21: Testing Alignment Code 21: --------------------------------------- 21: testBasic 21: --------------------------------------- 21: testTriangle 21: --------------------------------------- 21: testFourPts 21: --------------------------------------- 21: testReflection 21: --------------------------------------- 11/222 Test #20: testConrec .............................***Failed 0.09 sec Randomness seeded to: 2165858414 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ testConrec is a Catch2 v3.4.0 host application. Run with -? for options ------------------------------------------------------------------------------- connectLineSegments basics ------------------------------------------------------------------------------- ./Code/Numerics/testConrec.cpp:90 ............................................................................... ./Code/Numerics/testConrec.cpp:130: FAILED: CHECK( contours.size() == 74 ) with expansion: 177 == 74 =============================================================================== test cases: 3 | 2 passed | 1 failed assertions: 179 | 178 passed | 1 failed 12/222 Test #21: testAlignment .......................... Passed 0.05 sec test 23 Start 23: testOptimizer 23: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer/testOptimizer 23: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Numerics/Optimizer 23: Test timeout computed to be: 1500 test 24 Start 24: testUFFForceField 24: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/UFF/testUFFForceField 24: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/UFF 24: Test timeout computed to be: 1500 23: ------------------------------------- 23: Testing linear search. 23: done 23: ------------------------------------- 23: Testing BFGS optimization. 23: done 13/222 Test #1: testCoordGen ........................... Passed 0.53 sec 14/222 Test #23: testOptimizer .......................... Passed 0.05 sec test 25 Start 25: testMMFFForceField 25: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField 25: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/MMFF 25: Test timeout computed to be: 1500 test 26 Start 26: pyForceFieldConstraints 26: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ForceField/Wrap/testConstraints.py" 26: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ForceField/Wrap 26: Test timeout computed to be: 1500 24: ------------------------------------- 24: Unit tests for force field basics. 24: done 24: ------------------------------------- 24: Unit tests for basics of UFF bond-stretch terms. 24: done 24: ------------------------------------- 24: Unit tests for UFF bond-stretch terms. 24: done 24: ------------------------------------- 24: Unit tests for basics of UFF angle terms. 24: done 24: ------------------------------------- 24: Unit tests for UFF angle-bend terms. 24: theta = 3.14159; theta0 = 3.14159 24: theta = 2.094395, param1.theta0 = 2.094395 24: done 24: ------------------------------------- 24: Test Simple UFF molecule optimizations. 24: done 24: ------------------------------------- 24: Unit tests for UFF nonbonded terms. 24: done 24: ------------------------------------- 24: Test UFF torsional terms. 24: done 24: ------------------------------------- 24: Test UFF Parameter objects 24: ------------------------------------- 24: Test Simple UFF molecule optimization, part 2. 24: done 24: ------------------------------------- 24: Test UFF Torsion Conflicts. 24: C 0.4783 -0.7477 -0.0753 24: C -0.5465 -0.0176 0.3519 24: C -0.5114 1.4472 0.0870 24: H -1.5201 -0.4838 0.2485 24: H 0.4696 1.8363 0.3367 24: O -1.2618 1.9423 0.6934 24: F -0.7163 1.6298 -0.9622 24: done 24: ------------------------------------- 24: Unit tests for UFF distance constraint terms. 24: done 24: ------------------------------------- 24: Unit tests for all UFF constraint terms. 25: ------------------------------------- 25: Official MMFF validation suite. 24: done 24: ------------------------------------- 24: Unit tests for copying UFF ForceFields. 24: done 24: ------------------------------------- 24: Unit test for UFF butane scan. 13: ......... 13: ---------------------------------------------------------------------- 13: Ran 9 tests in 0.021s 13: 13: OK 25: 25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 2: .... 2: ---------------------------------------------------------------------- 2: Ran 4 tests in 0.051s 2: 2: OK 12: ...... 12: ---------------------------------------------------------------------- 12: Ran 6 tests in 0.018s 12: 12: OK 18: ........... 18: ---------------------------------------------------------------------- 18: Ran 11 tests in 0.035s 18: 18: OK 18: Testing Geometry wrapper 15/222 Test #13: pySparseIntVect ........................ Passed 0.76 sec test 27 Start 27: testDistGeom 27: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/testDistGeom 27: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom 27: Test timeout computed to be: 1500 14: ......... 14: ---------------------------------------------------------------------- 14: Ran 9 tests in 0.093s 14: 14: OK 27: *********************************************************** 27: test1 27: *********************************************************** 27: testIssue216 27: Rows: 4 Columns: 4 27: 0 1 1 1 27: 1 0 1 1 27: 1 1 0 1 27: 1 1 1 0 27: *********************************************************** 27: 16/222 Test #27: testDistGeom ........................... Passed 0.05 sec test 28 Start 28: pyDistGeom 28: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DistGeom/Wrap/rough_test.py" 28: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DistGeom/Wrap 28: Test timeout computed to be: 1500 17/222 Test #2: pyCoordGen ............................. Passed 1.05 sec test 29 Start 29: graphmolTest1 29: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTest1 29: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 29: Test timeout computed to be: 1500 22: ..... 22: ---------------------------------------------------------------------- 22: Ran 5 tests in 0.001s 22: 22: OK 22: Testing Alignment Wrapper code: 29: Atoms: 29: 0 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 0 arom?: 0 chi: 0 29: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0 29: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 0 arom?: 0 chi: 0 29: 3 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 0 arom?: 0 chi: 0 29: 4 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 0 arom?: 0 chi: 0 29: 5 6 C chg: 0 deg: 1 exp: 3 imp: 1 hyb: 0 arom?: 0 chi: 0 29: 6 6 C chg: 0 deg: 2 exp: 4 imp: 0 hyb: 0 arom?: 0 chi: 0 29: 7 7 N chg: 0 deg: 2 exp: 1 imp: 2 hyb: 0 arom?: 1 chi: 0 29: 8 22 Ti chg: 0 deg: 1 exp: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: getExplicitValence() called without call to calcExplicitValence() 29: Violation occurred on line 298 in file ./Code/GraphMol/Atom.cpp 29: Failed Expression: d_explicitValence > -1 29: **** 29: 29: N/A imp: -1 hyb: 0 arom?: 0 chi: 0 29: Bonds: 29: 0 0->1 order: 1 conj?: 0 aromatic?: 0 29: 1 1->2 order: 2 conj?: 0 aromatic?: 0 29: 2 2->3 order: 1 conj?: 0 aromatic?: 0 29: 3 0->4 order: 1 conj?: 0 aromatic?: 0 29: 4 5->6 order: 3 conj?: 0 aromatic?: 0 29: 5 6->7 order: 1 conj?: 0 aromatic?: 0 29: 6 7->8 order: 2 conj?: 0 aromatic?: 0 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: bond already exists 29: Violation occurred on line 380 in file ./Code/GraphMol/RWMol.cpp 29: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: bond already exists 29: Violation occurred on line 380 in file ./Code/GraphMol/RWMol.cpp 29: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second) 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: attempt to add self-bond 29: Violation occurred on line 379 in file ./Code/GraphMol/RWMol.cpp 29: Failed Expression: atomIdx1 != atomIdx2 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: bond already exists 29: Violation occurred on line 441 in file ./Code/GraphMol/ROMol.cpp 29: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second) 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: attempt to add self-bond 29: Violation occurred on line 439 in file ./Code/GraphMol/ROMol.cpp 29: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx() 29: **** 29: 29: [12:24:53] Explicit valence for atom # 0 B, 4, is greater than permitted 29: [12:24:53] Explicit valence for atom # 0 B, 5, is greater than permitted 3: dynamic boost any:0.24896 s 18/222 Test #18: testPyGeometry ......................... Passed 0.81 sec test 30 Start 30: graphmolcpTest 30: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolcpTest 30: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 30: Test timeout computed to be: 1500 29: [12:24:53] 29: 29: **** 29: Post-condition Violation 29: Element 'Xx' not found 29: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 29: Failed Expression: anum > -1 29: **** 29: 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test github381: thread-safe initialization of the periodic table 24: done 19/222 Test #24: testUFFForceField ...................... Passed 0.68 sec test 31 Start 31: graphmolqueryTest 31: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolqueryTest 31: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 31: Test timeout computed to be: 1500 30: 30: 30: 30: COPY 20/222 Test #14: pyFPB .................................. Passed 0.94 sec test 32 Start 32: graphmolMolOpsTest 32: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMolOpsTest 32: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 32: Test timeout computed to be: 1500 29: [12:24:53] done 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test github1041: Segfault for atom with no owner (expect some warnings) 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: no owner 29: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 29: Failed Expression: dp_mol 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: no owner 29: Violation occurred on line 185 in file ./Code/GraphMol/Bond.h 29: Failed Expression: dp_mol 29: **** 29: 29: [12:24:53] done 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test github1041: Segfault for atom with no owner (expect some warnings) 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: no owner 29: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 29: Failed Expression: dp_mol 29: **** 29: 29: [12:24:53] 29: 29: **** 29: Pre-condition Violation 29: no owner 29: Violation occurred on line 185 in file ./Code/GraphMol/Bond.h 29: Failed Expression: dp_mol 29: **** 29: 29: [12:24:53] done 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test github1453: RWMol.clear() should reset the numBonds count. 29: [12:24:53] done 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test range-based for loops. 29: [12:24:53] done 29: [12:24:53] ------------------------------------- 29: [12:24:53] Test github1642: Atom index type is too low for big molecules. 3: static RDAny:0.030227 s 31: [12:24:53] ---------------------- Test1 21/222 Test #12: pyDiscreteValueVect .................... Passed 1.00 sec 22/222 Test #30: graphmolcpTest ......................... Passed 0.06 sec test 33 Start 33: graphmoltestChirality 33: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestChirality 33: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 33: Test timeout computed to be: 1500 test 34 Start 34: graphmoltestPickler 34: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPickler 34: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 34: Test timeout computed to be: 1500 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test2 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test3 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test4 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test5 31: [12:24:53] Done! 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test issue 2892580 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test github issue 53: query molecules not matching [R] 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test queries using qualifiers instead of == 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test extra atom queries 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test extra bond queries 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test num heteroatom neighbor queries 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test atom type queries 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Test Github #2471: dummy atom queries are flagged as complex 31: [12:24:53] Done! 31: [12:24:53] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery() 31: [12:24:53] Done! 23/222 Test #31: graphmolqueryTest ...................... Passed 0.08 sec test 35 Start 35: graphmoltestPicklerGlobalSetting 35: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting 35: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 35: Test timeout computed to be: 1500 24/222 Test #22: pyAlignment ............................ Passed 0.83 sec test 36 Start 36: graphmolIterTest 36: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolIterTest 36: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 36: Test timeout computed to be: 1500 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing String Pickle Roundtrips. 32: 1 1 2 32: 1 1 1 32: 2 1 0.75 32: path: 2 32: [12:24:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 32: [12:24:53] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 13 ignored 32: [12:24:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored 33: -------------------------- 33: -------------------------- 33: C/C=C/C(C)Cl 35: [12:24:53] done 25/222 Test #35: graphmoltestPicklerGlobalSetting ....... Passed 0.05 sec test 37 Start 37: hanoiTest 37: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/hanoiTest 37: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 37: Test timeout computed to be: 1500 33: [12:24:53] Conflicting single bond directions around double bond at index 2. 33: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 33: [12:24:53] Conflicting single bond directions around double bond at index 4. 33: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 33: [12:24:53] Conflicting single bond directions around double bond at index 15. 33: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 33: [12:24:53] Conflicting single bond directions around double bond at index 2. 33: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 33: [12:24:53] Conflicting single bond directions around double bond at index 1. 33: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 32: [12:24:53] Explicit valence for atom # 0 B, 5, is greater than permitted 32: [12:24:53] Explicit valence for atom # 1 C, 5, is greater than permitted 32: [12:24:53] Explicit valence for atom # 1 C, 5, is greater than permitted 32: [12:24:53] Explicit valence for atom # 1 C, 5, is greater than permitted 32: [12:24:53] Explicit valence for atom # 1 Si, 7, is greater than permitted 33: -------------------------------------------------- 26/222 Test #33: graphmoltestChirality .................. Passed 0.12 sec 27/222 Test #36: graphmolIterTest ....................... Passed 0.06 sec test 38 Start 38: graphmolMemTest1 38: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolMemTest1 38: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 38: Test timeout computed to be: 1500 test 39 Start 39: resMolSupplierTest 39: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/resMolSupplierTest 39: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 39: Test timeout computed to be: 1500 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing reading existing pickle file (v2). 28/222 Test #38: graphmolMemTest1 ....................... Passed 0.06 sec test 40 Start 40: molBundleTest 40: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/molBundleTest 40: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 40: Test timeout computed to be: 1500 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing combining molecules using pickles. 34: Atoms: 34: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 4 arom?: 0 chi: 0 34: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 34: Bonds: 34: 0 0->1 order: 1 conj?: 0 aromatic?: 0 34: 1 1->2 order: 1 conj?: 0 aromatic?: 0 34: 2 2->0 order: 1 conj?: 0 aromatic?: 0 34: 3 3->4 order: 1 conj?: 0 aromatic?: 0 34: 4 4->5 order: 1 conj?: 0 aromatic?: 0 34: 5 5->6 order: 1 conj?: 0 aromatic?: 0 34: 6 6->3 order: 1 conj?: 0 aromatic?: 0 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Issue164: Roundtrip Pickle Failure. 29/222 Test #40: molBundleTest .......................... Passed 0.07 sec test 41 Start 41: testSGroup 41: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/testSGroup 41: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 41: Test timeout computed to be: 1500 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Issue219: Pickle Failure with Conformations. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Issue220: Pickle problems with bond stereochemistry. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing query serialization. 34: [12:24:53] C=[$(C=O)] 34: [12:24:53] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl] 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing radical handling in pickles. 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 2788233. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 3202580. 34: mass! 13.0034 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 3316407. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 3496759. 34: smi match: *C *C 34: smi match: **=* **=* 34: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O 34: smi match: *OS(=O)OC *OS(=O)OC 34: smi match: *S(=O)(=O)OC *S(=O)(=O)OC 34: smi match: O=COC=O O=COC=O 34: smi match: OO OO 34: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 34: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1 34: smi match: nnnOC=O nnnOC=O 34: smi match: *=C=N *=C=N 34: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F 34: smi match: SP(S)=S SP(S)=S 34: smi match: NP(N)(N)=O NP(N)(N)=O 34: smi match: cN=[N+]=[N-] cN=[N+]=[N-] 34: smi match: *CC=O *CC=O 34: smi match: NNC=O NNC=O 34: smi match: * * 34: smi match: C=P C=P 32: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 34: smi match: CC(=N)Cl CC(=N)Cl 34: smi match: N=O N=O 34: smi match: ** ** 34: smi match: N=C=N N=C=N 34: smi match: [C-]#[NH+] [C-]#[NH+] 34: smi match: O=CON(C=O)C=O O=CON(C=O)C=O 34: smi match: N#CC[OH] N#CC[OH] 34: smi match: N#CC=O N#CC=O 34: smi match: N#CS(=O)=O N#CS(=O)=O 34: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC 34: smi match: N#CN=N N#CN=N 34: smi match: N=NCC=O N=NCC=O 34: smi match: CCCCCCC CCCCCCC 34: smi match: OCCOCCO OCCOCCO 34: smi match: SS SS 34: smi match: [SH] [SH] 34: smi match: *1CC1 *1CC1 34: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH] 34: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH] 34: smi match: NC(=S)N=N NC(=S)N=N 34: smi match: N#CS N#CS 34: smi match: cC[N+] cC[N+] 34: smi match: C*C=S C*C=S 34: smi match: N[CH2]C#N N[CH2]C#N 34: smi match: O=C1CCO1 O=C1CCO1 34: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH] 34: smi match: O=C1CCN1 O=C1CCN1 34: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1 34: smi match: C=CC=CC=CC=C C=CC=CC=CC=C 34: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1 34: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21 34: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1 34: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1 34: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 34: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2 34: smi match: cN(=O)~O cN(=O)~O 34: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O 34: smi match: N~NC=O N~NC=O 34: smi match: *=N~C *=N~C 34: smi match: CO*(=O)=O CO*(=O)=O 34: smi match: * * 34: smi match: * * 34: smi match: *C=C *C=C 34: smi match: N#CS N#CS 34: smi match: *C=S *C=S 34: smi match: *N *N 34: smi match: *C(=C)C=O *C(=C)C=O 34: smi match: *C#C *C#C 34: smi match: N#CCO N#CCO 34: smi match: O=N(=O)CCO O=N(=O)CCO 34: smi match: N=CS N=CS 34: smi match: O=CNC(O)C=O O=CNC(O)C=O 34: smi match: C=C(C=O)C=O C=C(C=O)C=O 34: smi match: N=CC=O N=CC=O 34: smi match: *C(C=O)C=O *C(C=O)C=O 34: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O 34: smi match: O=CC=CC=O O=CC=CC=O 34: smi match: O=CN(O)C=O O=CN(O)C=O 34: smi match: O=CN(S)C=O O=CN(S)C=O 34: smi match: O=CNC=O O=CNC=O 34: smi match: O=CNN=O O=CNN=O 34: smi match: O=CNNC=O O=CNNC=O 34: smi match: O=CNOC=O O=CNOC=O 34: smi match: O=CS O=CS 34: smi match: O=CSC=S O=CSC=S 34: smi match: S=CS S=CS 34: smi match: C=O C=O 34: smi match: *C=N *C=N 34: smi match: CCCCCCC CCCCCCC 34: smi match: CN=O CN=O 34: smi match: CS(=O)(=O)O CS(=O)(=O)O 34: smi match: O=C1CCO1 O=C1CCO1 34: smi match: C=C(S)[SH]=O C=C(S)[SH]=O 34: smi match: C=CCO C=CCO 34: smi match: C=CC=N C=CC=N 34: smi match: C=CC=O C=CC=O 34: smi match: C=CC(=O)C=C C=CC(=O)C=C 34: smi match: C=CC=S C=CC=S 34: smi match: C=CC(=S)S C=CC(=S)S 34: smi match: *C=C(*)C=C *C=C(*)C=C 34: smi match: C=CC=N C=CC=N 34: smi match: *N(*)C=C *N(*)C=C 34: smi match: C=CN(=O)=O C=CN(=O)=O 34: smi match: C=CN(O)=O C=CN(O)=O 34: smi match: C=CO C=CO 34: smi match: C=COC=O C=COC=O 34: smi match: C=CS C=CS 34: smi match: C=C[SH](=O)=O C=C[SH](=O)=O 34: smi match: C=NCO C=NCO 34: smi match: C=NC=O C=NC=O 34: smi match: C=NN C=NN 34: smi match: C=NN=C C=NN=C 34: smi match: C=NO C=NO 34: smi match: C=NOC=O C=NOC=O 34: smi match: C=N=O C=N=O 34: smi match: N#CS N#CS 34: smi match: *CN=O *CN=O 34: smi match: NCN NCN 34: smi match: ON=CCN=O ON=CCN=O 34: smi match: NC(S)=N[SH](=O)=O NC(S)=N[SH](=O)=O 34: smi match: N=C(N)S N=C(N)S 34: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1 34: smi match: NC=S NC=S 34: smi match: NC(N)=S NC(N)=S 34: smi match: C=CN C=CN 34: smi match: NOC=O NOC=O 34: smi match: C1CN1 C1CN1 34: smi match: O=C1NNNN1 O=C1NNNN1 34: smi match: N=C(N)C(=N)N N=C(N)C(=N)N 34: smi match: N=C(N)O N=C(N)O 34: smi match: N=C(N)C(=N)S N=C(N)C(=N)S 34: smi match: *C=N *C=N 32: [12:24:53] non-ring atom 0 marked aromatic 32: [12:24:53] non-ring atom 0 marked aromatic 34: smi match: N=CC=O N=CC=O 34: smi match: N=CS N=CS 34: smi match: N=C=N N=C=N 34: smi match: N=C=O N=C=O 34: smi match: N=C=S N=C=S 34: smi match: NOC(=O)O NOC(=O)O 34: smi match: *C(O)=S *C(O)=S 34: smi match: C=CO C=CO 34: smi match: ON=CC=NO ON=CC=NO 34: smi match: *C[SH](=O)=O *C[SH](=O)=O 34: smi match: OS(=O)=O OS(=O)=O 34: smi match: N#CS N#CS 34: smi match: C=C(S)S C=C(S)S 34: smi match: N=C(N)S N=C(N)S 34: smi match: N=C(S)S N=C(S)S 34: smi match: NC(=S)S NC(=S)S 34: smi match: O=CNS O=CNS 34: smi match: S S 34: smi match: [SiH4] [SiH4] 34: smi match: NS NS 34: smi match: NCN NCN 34: smi match: cC(c)(O)O cC(c)(O)O 34: smi match: *C(c)O *C(c)O 34: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O 34: smi match: cS(=O)(=O)O cS(=O)(=O)O 34: smi match: *c1ccccn1=O *c1ccccn1=O 34: smi match: *c1ccccn1 *c1ccccn1 34: smi match: *c1nccccn1 *c1nccccn1 34: smi match: C1COCOC1 C1COCOC1 34: smi match: C=S C=S 34: smi match: c=S c=S 34: smi match: S=CS S=CS 34: smi match: C=CN(=O)=O C=CN(=O)=O 34: smi match: C=CN(=O)O C=CN(=O)O 34: smi match: N=CC=O N=CC=O 34: smi match: C=CS C=CS 34: smi match: SC(S)(S)S SC(S)(S)S 34: smi match: OS(O)(O)O OS(O)(O)O 34: smi match: O=N(=O)C[SH](=O)=O O=N(=O)C[SH](=O)=O 34: smi match: O=N(O)C[SH](=O)=O O=N(O)C[SH](=O)=O 34: smi match: N#CS N#CS 34: smi match: C=NO C=NO 34: smi match: C=N[SH]=N C=N[SH]=N 34: smi match: O=C(S)S O=C(S)S 34: smi match: N=C(S)S N=C(S)S 34: smi match: N=C(=N)S N=C(=N)S 32: [12:24:53] Conflicting single bond directions around double bond at index 17. 32: [12:24:53] BondStereo set to STEREONONE and single bond directions set to NONE. 32: starting ring finding 30/222 Test #41: testSGroup ............................. Passed 0.09 sec test 42 Start 42: test-valgrind 42: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/test-valgrind 42: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 42: Test timeout computed to be: 1500 34: smi match: O=N=O O=N=O 34: smi match: O=NO O=NO 34: smi match: ONO ONO 34: smi match: C1SCS1 C1SCS1 34: smi match: N=C=S N=C=S 34: smi match: N=C=N N=C=N 34: smi match: C1N=N1 C1N=N1 34: smi match: *CS *CS 34: smi match: SC(S)=C(S)S SC(S)=C(S)S 34: smi match: N=CC=NO N=CC=NO 34: smi match: N#CCC#N N#CCC#N 34: smi match: CON=O CON=O 34: smi match: C=CN C=CN 34: smi match: C=N[SH](=O)=O C=N[SH](=O)=O 34: smi match: NN=O NN=O 34: smi match: NC(=O)S NC(=O)S 34: smi match: N#CS N#CS 34: smi match: NC(=O)C(N)=O NC(=O)C(N)=O 34: smi match: c=N c=N 34: smi match: C1COCO1 C1COCO1 34: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O 34: smi match: O=CC=O O=CC=O 34: smi match: O=CNOC=O O=CNOC=O 34: smi match: O=C1C=CC(=O)C=C1 O=C1C=CC(=O)C=C1 34: smi match: ONO ONO 34: smi match: ON(~O)~O ON(~O)~O 34: smi match: OC1COC(O)C1 OC1COC(O)C1 34: smi match: OC1CCOC1O OC1CCOC1O 34: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1 34: smi match: N=[N+]=N N=[N+]=N 34: smi match: N#CN N#CN 34: smi match: C=NN=C C=NN=C 34: smi match: *CCN(C)C *CCN(C)C 34: smi match: CNN CNN 34: smi match: *CC *CC 34: smi match: OCS OCS 34: smi match: C1NO1 C1NO1 34: smi match: COS(C)(=O)=O COS(C)(=O)=O 34: smi match: C1CO1 C1CO1 34: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1 34: smi match: *C(*)=C *C(*)=C 34: smi match: N#[NH+] N#[NH+] 34: smi match: C#NO C#NO 34: smi match: OOO OOO 34: smi match: OO OO 34: smi match: O~Cl(~O)~O O~Cl(~O)~O 34: smi match: O~Cl(~O)(~O)~O O~Cl(~O)(~O)~O 34: smi match: [OH]~C(~O)~O [OH]~C(~O)~O 34: smi match: *N *N 34: smi match: *P *P 34: smi match: *S *S 34: smi match: *C(*)(*)C=C *C(*)(*)C=C 34: smi match: *C(*)(*)C=C *C(*)(*)C=C 34: smi match: *C(*)C=C *C(*)C=C 34: smi match: *CC=C *CC=C 34: smi match: CN=C=O CN=C=O 34: smi match: CN=C=S CN=C=S 34: smi match: *C=O *C=O 34: smi match: N=N N=N 34: smi match: SS SS 34: smi match: O=C1CCNC(=O)O1 O=C1CCNC(=O)O1 34: smi match: CSC(C)=N CSC(C)=N 34: smi match: COC(C)=N COC(C)=N 34: smi match: C=C=C C=C=C 34: smi match: *C(=O)OC=O *C(=O)OC=O 34: smi match: C=CC#N C=CC#N 34: smi match: C=CC=O C=CC=O 32: done 32: starting ring finding 32: done 32: starting ring finding 32: done 32: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C 32: starting sanitization 34: smi match: CC=CC(C)=O CC=CC(C)=O 34: smi match: CC=CC(=O)OCC CC=CC(=O)OCC 34: smi match: C#CC#N C#CC#N 34: smi match: C#CC=O C#CC=O 34: smi match: C#CC(=O)OCC C#CC(=O)OCC 34: smi match: C#CC=O C#CC=O 34: smi match: *C(=O)C#C *C(=O)C#C 34: smi match: C=CC=O C=CC=O 34: smi match: *C(*)(*)O *C(*)(*)O 34: smi match: COS(O)(=O)=O COS(O)(=O)=O 34: smi match: CS(=O)(=O)[O-] CS(=O)(=O)[O-] 34: smi match: NS(=O)(=O)[O-] NS(=O)(=O)[O-] 34: smi match: *C(*)(*)C=O *C(*)(*)C=O 34: smi match: *C(*)(*)C=O *C(*)(*)C=O 34: smi match: *C(*)C=O *C(*)C=O 34: smi match: *CC=O *CC=O 34: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 34: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O 34: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O 34: smi match: *C[SH](=O)=O *C[SH](=O)=O 34: smi match: * * 34: smi match: *1CC1 *1CC1 34: smi match: O=COC=O O=COC=O 34: smi match: N=C=O N=C=O 34: smi match: N=C=S N=C=S 34: smi match: O~O O~O 34: smi match: N~[SiH4] N~[SiH4] 34: smi match: *P *P 34: smi match: C=N=N C=N=N 34: smi match: *N#[NH+] *N#[NH+] 34: smi match: *S* *S* 34: smi match: ** ** 34: smi match: *CC* *CC* 34: smi match: *O[SiH3] *O[SiH3] 34: smi match: *OS(*)~O *OS(*)~O 34: smi match: N~N~O N~N~O 34: smi match: *N(~O)(~O)~O *N(~O)(~O)~O 34: smi match: *[N+](=C)[O-] *[N+](=C)[O-] 34: smi match: * * 34: smi match: *C(*)NCN(*)* *C(*)NCN(*)* 34: smi match: *OCC#N *OCC#N 34: smi match: **C=C **C=C 34: smi match: C=C[O-] C=C[O-] 34: smi match: C=CO C=CO 34: smi match: * * 34: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O 34: smi match: O=COn1ccnc1 O=COn1ccnc1 34: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F 34: smi match: CC(C)(C)S CC(C)(C)S 34: smi match: [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C [CH2][CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~[CH]~C 34: smi match: [CH]=O [CH]=O 34: smi match: C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C C~[CH2]~[CH2]~[CH2]~[CH2]~[CH2]~C 34: smi match: SS SS 34: smi match: [SH] [SH] 34: smi match: *C* *C* 34: smi match: * * 34: smi match: C[nH3+] C[nH3+] 34: smi match: cC(=N)[NH2] cC(=N)[NH2] 34: smi match: O=CN[OH] O=CN[OH] 34: smi match: NN NN 32: done 32: starting sanitization 32: done 31/222 Test #42: test-valgrind .......................... Passed 0.05 sec test 43 Start 43: graphmolTestsCatch 43: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolTestsCatch 43: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 43: Test timeout computed to be: 1500 32: starting ring finding 32: done 32: starting ring finding 32: done 32: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 34: smi match: * * 34: smi match: *OP(=O)O* *OP(=O)O* 34: smi match: * * 34: smi match: * * 34: smi match: * * 34: smi match: *N=C(*)* *N=C(*)* 34: smi match: *C(*)(*)C=O *C(*)(*)C=O 34: smi match: CSC=O CSC=O 34: smi match: * * 34: smi match: O=CCl O=CCl 34: smi match: *** *** 34: smi match: *C=O *C=O 34: smi match: C[OH] C[OH] 34: smi match: C[OH] C[OH] 34: smi match: C[OH] C[OH] 34: smi match: C[OH] C[OH] 34: smi match: C[CH]=O C[CH]=O 34: smi match: *=* *=* 34: smi match: *C *C 34: smi match: C#C C#C 34: smi match: *[CH]C=C *[CH]C=C 34: smi match: cCC(=O)[OH] cCC(=O)[OH] 34: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH] 34: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH] 34: smi match: C=CC(=O)[OH] C=CC(=O)[OH] 34: smi match: N#CC(=O)[OH] N#CC(=O)[OH] 34: smi match: O=C([OH])CN(~O)~O O=C([OH])CN(~O)~O 34: smi match: *N(*)C*=O *N(*)C*=O 34: smi match: O=*C[OH] O=*C[OH] 34: smi match: *=C*=O *=C*=O 34: smi match: *=CC#N *=CC#N 34: smi match: *C[OH] *C[OH] 34: smi match: ** ** 34: smi match: *C[OH] *C[OH] 34: smi match: *C(*)=O *C(*)=O 34: smi match: * * 34: smi match: *CC(=O)[OH] *CC(=O)[OH] 34: smi match: CC(=O)OC(C)=O CC(=O)OC(C)=O 34: smi match: *c *c 34: smi match: CN(C)c CN(C)c 34: smi match: c c 34: smi match: *c *c 34: smi match: *c *c 34: smi match: **:*cF **:*cF 34: smi match: cB([OH])[OH] cB([OH])[OH] 34: smi match: N~N~N N~N~N 32: [12:24:53] WARNING: not removing hydrogen atom with dummy atom neighbors 32: ------------------------------- 34: smi match: *N=N* *N=N* 34: smi match: *CC[OH] *CC[OH] 34: smi match: *CC[OH] *CC[OH] 34: smi match: *=CCC(=O)[OH] *=CCC(=O)[OH] 34: smi match: O=C([OH])CC[OH] O=C([OH])CC[OH] 34: smi match: *CCC(=O)[OH] *CCC(=O)[OH] 34: smi match: CC(=O)CC(=O)[OH] CC(=O)CC(=O)[OH] 34: smi match: *OC(=O)CC(C)=O *OC(=O)CC(C)=O 34: smi match: *OC(*)=O *OC(*)=O 34: smi match: *C(=O)[OH] *C(=O)[OH] 34: smi match: O=C[OH] O=C[OH] 34: smi match: *OC(=O)O* *OC(=O)O* 34: smi match: * * 34: smi match: *OC(=O)Cl *OC(=O)Cl 34: smi match: *C#N *C#N 34: smi match: NCC(=O)NCC=O NCC(=O)NCC=O 34: smi match: SS SS 34: smi match: * * 34: smi match: *=* *=* 32: [12:24:53] Explicit valence for atom # 0 N, 4, is greater than permitted 32: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 28: ...... 28: ---------------------------------------------------------------------- 28: Ran 6 tests in 0.001s 28: 28: OK 32: [12:24:53] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 32: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 32: [12:24:53] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 34: smi match: *=* *=* 34: smi match: *=* *=* 34: smi match: *=* *=* 34: smi match: C1CO1 C1CO1 34: smi match: *OC(*)=O *OC(*)=O 34: smi match: * * 34: smi match: *O*[OH] *O*[OH] 34: smi match: COC(C)(C)O COC(C)(C)O 34: smi match: *[OH] *[OH] 34: smi match: ** ** 34: smi match: C=N[NH2] C=N[NH2] 34: smi match: C=NC=O C=NC=O 34: smi match: * * 34: smi match: C#NC C#NC 34: smi match: CN=C=O CN=C=O 34: smi match: CN=C=S CN=C=S 34: smi match: *OC(*)(*)O* *OC(*)(*)O* 34: smi match: *C(*)=O *C(*)=O 34: smi match: C~C~C~C~C~C~C C~C~C~C~C~C~C 34: smi match: *~*=O *~*=O 34: smi match: *~*=O *~*=O 34: smi match: OC(=O)CC(=O)[OH] OC(=O)CC(=O)[OH] 34: smi match: * * 34: smi match: *C#N *C#N 34: smi match: *N(=O)~O *N(=O)~O 34: smi match: N N 34: smi match: OC(=O)C(O)=O OC(=O)C(O)=O 34: smi match: C=NO C=NO 34: smi match: O~O O~O 34: smi match: c[OH] c[OH] 34: smi match: O=P(~[OH])~O O=P(~[OH])~O 34: smi match: CO~P(=O)~O CO~P(=O)~O 34: smi match: O=P(~[OH])(~O)~O O=P(~[OH])(~O)~O 34: smi match: CO~P(=O)(~O)~O CO~P(=O)(~O)~O 34: smi match: O=P(~O)~O O=P(~O)~O 34: smi match: O=P(~O)(~O)~O O=P(~O)(~O)~O 34: smi match: C[NH2] C[NH2] 34: smi match: O~*1~**~*(~O)~**~1 O~*1~**~*(~O)~**~1 34: smi match: * * 34: smi match: *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 *1~*~*~C2~C(~*~1)~*~*~C1~C3~*~*~*~C~3~*~*~C~2~1 34: smi match: CS(C)~O CS(C)~O 34: smi match: CS(C)(~O)~O CS(C)(~O)~O 34: smi match: CS(N)(~O)~O CS(N)(~O)~O 34: smi match: CS([OH])(~O)~O CS([OH])(~O)~O 34: smi match: COS(C)(~O)~O COS(C)(~O)~O 34: smi match: *S(C)(~O)~O *S(C)(~O)~O 34: smi match: CN(C)C CN(C)C 34: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1 34: smi match: *C(*)=S *C(*)=S 34: smi match: *OC(*)=S *OC(*)=S 32: [12:24:53] WARNING: not removing hydrogen atom with dummy atom neighbors 26: ...[12:24:53] Molecule does not have explicit Hs. Consider calling AddHs() 26: [12:24:53] 26: 26: **** 26: Invariant Violation 26: bad direction in linearSearch 26: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h 26: Failed Expression: status >= 0 26: **** 26: 34: smi match: * * 34: smi match: C[SH] C[SH] 34: smi match: c[SH] c[SH] 34: smi match: NC(N)=S NC(N)=S 34: smi match: * * 34: smi match: ***** ***** 34: smi match: NC(N)=O NC(N)=O 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 280. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing sf.net issue 285. 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Github2441: Add RDProps interface to Conformers. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Issue2510: Pickle Confs as double. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing Github #2465: Negative atom-map numbers cause depickling to fail. 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing loading pickled mols with conformers 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing conformer reading/writing options 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing property reading options 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing property reading options 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing boost::serialization integration 34: [12:24:53] done 34: [12:24:53] ------------------------------------- 34: [12:24:53] Testing github issue 6036 32/222 Test #34: graphmoltestPickler .................... Passed 0.44 sec test 44 Start 44: graphmolOrganometallicsCatch 44: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch 44: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 44: Test timeout computed to be: 1500 43: Randomness seeded to: 4061307347 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] Explicit valence for atom # 1 N, 5, is greater than permitted 43: [12:24:53] Explicit valence for atom # 1 N, 6, is greater than permitted 43: [12:24:53] Explicit valence for atom # 1 N, 5, is greater than permitted 43: [12:24:53] Explicit valence for atom # 1 N, 5, is greater than permitted 43: [12:24:53] Explicit valence for atom # 2 O, 3, is greater than permitted 43: [12:24:53] Explicit valence for atom # 2 O, 3, is greater than permitted 43: [12:24:53] non-ring atom 2 marked aromatic 43: [12:24:53] non-ring atom 2 marked aromatic 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 1 2 3 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 1 2 3 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 43: [12:24:53] Explicit valence for atom # 1 O, 3, is greater than permitted 43: [12:24:53] Explicit valence for atom # 4 F, 2, is greater than permitted 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 6 7 8 43: [12:24:53] Explicit valence for atom # 1 C, 5, is greater than permitted 43: [12:24:53] WARNING: not removing hydrogen atom with dummy atom neighbors 43: [12:24:53] WARNING: not removing hydrogen atom with dummy atom neighbors 43: [12:24:53] WARNING: not removing hydrogen atom with wedged bond 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] Unreasonable formal charge on hydrogen # 0. 43: [12:24:53] batchEdit mode already enabled, ignoring additional call to beginBatchEdit() 43: [12:24:53] batchEdit mode already enabled, ignoring additional call to beginBatchEdit() 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no atom 43: Violation occurred on line 185 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: at 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no owner 43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 43: Failed Expression: dp_mol 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: atom not associated with this molecule 43: Violation occurred on line 186 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: &at->getOwningMol() == this 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no atom 43: Violation occurred on line 385 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: at 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no owner 43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 43: Failed Expression: dp_mol 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: atom not associated with this molecule 43: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: &at->getOwningMol() == this 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no atom 43: Violation occurred on line 392 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: at 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: no owner 43: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 43: Failed Expression: dp_mol 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: atom not associated with this molecule 43: Violation occurred on line 393 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: &at->getOwningMol() == this 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: null atom passed in 43: Violation occurred on line 407 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: atom_pin 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: cannot take ownership of an atom which already has an owner 43: Violation occurred on line 408 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: cannot take ownership of an bond which already has an owner 43: Violation occurred on line 434 in file ./Code/GraphMol/ROMol.cpp 43: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this 43: **** 43: 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:53] WARNING: not removing hydrogen atom without neighbors 43: [12:24:53] Explicit valence for atom # 1 F greater than permitted 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: plain atoms have no Query 43: Violation occurred on line 610 in file ./Code/GraphMol/Atom.cpp 43: Failed Expression: 0 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: plain atoms have no Query 43: Violation occurred on line 615 in file ./Code/GraphMol/Atom.cpp 43: Failed Expression: 0 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: plain bonds have no Query 43: Violation occurred on line 206 in file ./Code/GraphMol/Bond.cpp 43: Failed Expression: 0 43: **** 43: 43: [12:24:53] 43: 43: **** 43: Pre-condition Violation 43: plain bonds have no query 43: Violation occurred on line 227 in file ./Code/GraphMol/Bond.cpp 43: Failed Expression: 0 43: **** 43: 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 43: [12:24:53] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:54] Unusual charge on atom 0 number of radical electrons set to zero 43: [12:24:54] Unusual charge on atom 0 number of radical electrons set to zero 43: [12:24:54] Unusual charge on atom 0 number of radical electrons set to zero 43: [12:24:54] non-ring atom 0 marked aromatic 43: [12:24:54] non-ring atom 0 marked aromatic 43: [12:24:54] Explicit valence for atom # 1 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 9 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 3 N, 4, is greater than permitted 43: [12:24:54] Explicit valence for atom # 15 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 11 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 9 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 9 C, 5, is greater than permitted 43: [12:24:54] Explicit valence for atom # 9 C, 6, is greater than permitted 43: [12:24:54] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 43: [12:24:54] Can't kekulize mol. Unkekulized atoms: 7 43: [12:24:54] Can't kekulize mol. Unkekulized atoms: 3 43: [12:24:54] Can't kekulize mol. Unkekulized atoms: 3 7 43: [12:24:54] Can't kekulize mol. Unkekulized atoms: 3 7 43: [12:24:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 43: [12:24:54] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 33/222 Test #28: pyDistGeom ............................. Passed 0.76 sec test 45 Start 45: graphmolSGroupCatch 45: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolSGroupCatch 45: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 45: Test timeout computed to be: 1500 44: Randomness seeded to: 3959557680 44: =============================================================================== 44: All tests passed (62 assertions in 6 test cases) 44: 34/222 Test #44: graphmolOrganometallicsCatch ........... Passed 0.14 sec test 46 Start 46: graphmolAdjustQueryCatch 46: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch 46: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 46: Test timeout computed to be: 1500 45: Randomness seeded to: 1002248677 45: =============================================================================== 45: All tests passed (120 assertions in 6 test cases) 45: 35/222 Test #45: graphmolSGroupCatch .................... Passed 0.08 sec test 47 Start 47: chiralityTestsCatch 47: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/chiralityTestsCatch 47: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 47: Test timeout computed to be: 1500 43: [12:24:54] Explicit valence for atom # 1 O, 3, is greater than permitted 43: [12:24:54] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 43: [12:24:54] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 43: [12:24:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 43: [12:24:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 43: =============================================================================== 43: All tests passed (1630 assertions in 89 test cases) 43: 36/222 Test #43: graphmolTestsCatch ..................... Passed 0.28 sec test 48 Start 48: canonTestsCatch 48: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/canonTestsCatch 48: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 48: Test timeout computed to be: 1500 46: Randomness seeded to: 290510101 46: =============================================================================== 46: All tests passed (281 assertions in 10 test cases) 46: 37/222 Test #46: graphmolAdjustQueryCatch ............... Passed 0.12 sec test 49 Start 49: moliteratorTestsCatch 49: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/moliteratorTestsCatch 49: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 49: Test timeout computed to be: 1500 48: Randomness seeded to: 1917752358 48: =============================================================================== 48: All tests passed (137 assertions in 7 test cases) 48: 38/222 Test #48: canonTestsCatch ........................ Passed 0.08 sec test 50 Start 50: queryTestsCatch 50: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/queryTestsCatch 50: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 50: Test timeout computed to be: 1500 47: Randomness seeded to: 1540804454 47: [12:24:54] unable to set wavy bonds for double bonds: 3 47: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 47: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 49: Randomness seeded to: 2992507502 49: =============================================================================== 49: All tests passed (14 assertions in 4 test cases) 49: 39/222 Test #49: moliteratorTestsCatch .................. Passed 0.07 sec test 51 Start 51: molbundleTestsCatch 51: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/molbundleTestsCatch 51: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 51: Test timeout computed to be: 1500 26: ......[12:24:54] Molecule does not have explicit Hs. Consider calling AddHs() 26: [12:24:54] 26: 26: **** 26: Invariant Violation 26: bad direction in linearSearch 26: Violation occurred on line 240 in file ./Code/Numerics/Optimizer/BFGSOpt.h 26: Failed Expression: status >= 0 26: **** 26: 3: dynamic RDAny:0.234015 s 3: static RDValue:0 s 50: Randomness seeded to: 3280007820 50: =============================================================================== 50: All tests passed (10 assertions in 1 test case) 50: 40/222 Test #50: queryTestsCatch ........................ Passed 0.06 sec test 52 Start 52: pickleTestsCatch 52: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/pickleTestsCatch 52: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol 52: Test timeout computed to be: 1500 47: [12:24:54] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 47: [12:24:54] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored. 47: [12:24:54] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored 47: [12:24:54] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 1 ignored 47: [12:24:54] Warning: ambiguous stereochemistry - overlapping neighbors - at atom 2 ignored 47: =============================================================================== 47: All tests passed (1845 assertions in 63 test cases) 47: 41/222 Test #47: chiralityTestsCatch .................... Passed 0.18 sec test 53 Start 53: smiTest1 53: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1 53: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 53: Test timeout computed to be: 1500 51: Randomness seeded to: 3709260737 51: =============================================================================== 51: All tests passed (6 assertions in 1 test case) 51: 42/222 Test #51: molbundleTestsCatch .................... Passed 0.08 sec test 54 Start 54: smiTest2 54: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2 54: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 54: Test timeout computed to be: 1500 52: Randomness seeded to: 3822555643 52: =============================================================================== 52: All tests passed (34 assertions in 1 test case) 52: 43/222 Test #52: pickleTestsCatch ....................... Passed 0.07 sec test 55 Start 55: cxsmilesTest 55: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest 55: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 55: Test timeout computed to be: 1500 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO' 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 54: [12:24:54] SMILES Parse Error: syntax error while parsing: - 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES '-' for input: '-' 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]' 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C' 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O' 54: [12:24:54] SMILES Parse Error: Failed parsing SMILES '*' for input: '*' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O' 54: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*' 44/222 Test #54: smiTest2 ............................... Passed 0.04 sec test 56 Start 56: smaTest1 56: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1 56: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 56: Test timeout computed to be: 1500 3: dynamic RDValue:0.037127 s 3: deleted! 3: [12:24:54] ------------------------------------- 3: [12:24:54] Testing String Pickle Roundtrips. 3: [12:24:54] done 3: [12:24:54] ------------------------------------- 3: [12:24:54] Testing conversion of vect to string. 3: [12:24:54] done 3: [12:24:54] ------------------------------------- 3: [12:24:54] Testing returning const references. 3: [12:24:54] any cast 3: [12:24:54] done: 0.000834 300000 3: [12:24:54] copy 3: [12:24:54] done: 0.000833 300000 3: [12:24:54] ref 3: [12:24:54] done: 0.000834 300000 3: [12:24:54] dict 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 3: [12:24:54] done: 0.003439 300000 3: [12:24:54] ref with hasVal 53: [12:24:54] WARNING: not removing hydrogen atom without neighbors 53: [12:24:54] Invalid chiral specification on atom 0 53: [12:24:54] Invalid chiral specification on atom 0 53: [12:24:54] Invalid chiral specification on atom 0 53: [12:24:54] Invalid chiral specification on atom 0 53: [12:24:54] Invalid chiral specification on atom 0 3: [12:24:54] done: 0.001281 300000 3: [12:24:54] done 3: [12:24:54] ------------------------------------- 3: [12:24:54] Testing dict update. 3: [12:24:54] done 3: deleted! 3: deleted! 3: deleted! 3: deleted! 3: deleted! 3: deleted! 45/222 Test #3: testDict ............................... Passed 2.15 sec test 57 Start 57: smiTestCatch 57: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch 57: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 57: Test timeout computed to be: 1500 53: [12:24:54] SMILES Parse Error: unclosed ring for input: 'C1.C11.C' 53: [12:24:54] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC' 26: ... 26: ---------------------------------------------------------------------- 26: Ran 12 tests in 0.794s 26: 26: OK 57: Randomness seeded to: 596818743 57: [12:24:54] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 57: [12:24:54] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 57: [12:24:54] SMARTS Parse Error: unclosed ring for input: 'c1ccccc' 57: [12:24:54] SMARTS Parse Error: unclosed ring for input: 'C1C' 57: [12:24:54] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 57: [12:24:54] SMARTS Parse Error: syntax error while parsing: C)foo 57: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo' 57: [12:24:54] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| 57: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|' 57: [12:24:54] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu' 32: [12:24:54] Maximum BFS search size exceeded. 32: This is likely due to a highly symmetric fused ring system. 57: [12:24:54] w block attempts to set wedging on bond 0 more than once. 57: [12:24:54] improperly formatted w block 57: [12:24:54] atom 3 is not associated with bond 1 in w block 57: =============================================================================== 57: All tests passed (1516 assertions in 53 test cases) 57: 46/222 Test #57: smiTestCatch ........................... Passed 0.26 sec test 58 Start 58: nontetrahedralCatch 58: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch 58: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SmilesParse 58: Test timeout computed to be: 1500 53: --C1CCC2(CC1)CCCCC2CCC1CCCC1 56: [12:24:54] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC 56: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC' 56: [12:24:54] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON 56: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON' 56: [12:24:54] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 56: [12:24:54] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged 47/222 Test #56: smaTest1 ............................... Passed 0.33 sec test 59 Start 59: testDepictor 59: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/testDepictor 59: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor 59: Test timeout computed to be: 1500 58: Randomness seeded to: 2689801672 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 53: smi: ClC1CCCCC1 53: smi: ClC1CCCCC1 53: smi: ClC1CCCCC1Br 53: smi: c1ccccc1 53: smi: c1ccncc1 53: smi: c1cc[nH]c1 53: smi: c1cc[nH]c1 53: smi: c1cc[pH]c1 53: CbC(aC)aC 53: CaC(bC)aC 53: CbC(bC)aC 53: O.C 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 53: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O 53: [12:24:54] SMILES Parse Error: syntax error while parsing: c%()ccccc%() 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()' 53: [12:24:54] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000) 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)' 53: [12:24:54] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111' 53: [12:24:54] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1' 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 48/222 Test #26: pyForceFieldConstraints ................ Passed 1.99 sec test 60 Start 60: depictorCatch 60: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/depictorCatch 60: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor 60: Test timeout computed to be: 1500 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 58: [12:24:54] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry 58: [12:24:54] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false. 58: =============================================================================== 58: All tests passed (308 assertions in 9 test cases) 58: 53: [12:24:54] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: [12:24:54] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: [12:24:54] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: [12:24:54] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: [12:24:54] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: [12:24:54] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C# 53: [12:24:54] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#' 53: C=c1s/c2n(c1=O)CCCCCCC\N=2 53: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1 53: [12:24:54] SMILES Parse Error: extra close parentheses while parsing: C) 53: [12:24:54] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)' 49/222 Test #58: nontetrahedralCatch .................... Passed 0.11 sec test 61 Start 61: pyDepictor 61: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Depictor/Wrap/testDepictor.py" 61: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Depictor/Wrap 61: Test timeout computed to be: 1500 50/222 Test #53: smiTest1 ............................... Passed 0.51 sec test 62 Start 62: testMrvToMol 62: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol 62: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MarvinParse 62: Test timeout computed to be: 1500 62: Using new chirality perception 62: Test 62: 62: NewChiralTest.sdf 62: 62: Test 62: 62: NewChiralTest.sdf 62: 62: Test 62: 62: NewChiralTestNoChiral.sdf 62: 62: Test 62: 62: NewChiralTestNoChiral.sdf 62: 62: Test 62: 62: NewChiralTestAllChiral.sdf 62: 62: Test 62: 62: NewChiralTestAllChiral.sdf 62: 62: Test 62: 62: ProblemShort.mol 62: 62: [12:24:54] For a MultipleSgroup expansion, the matching orphaned bond was not found 62: The multiple sgroup will be ignored 60: Randomness seeded to: 141424288 60: =============================================================================== 60: All tests passed (571 assertions in 14 test cases) 60: 51/222 Test #60: depictorCatch .......................... Passed 0.30 sec test 63 Start 63: fileParsersTest1 63: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1 63: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 63: Test timeout computed to be: 1500 63: *************************************** 63: *************************************** 63: [12:24:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 63: [12:24:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 63: [12:24:55] bond with order 0 found on line 7. This is not part of the MDL specification. 62: Test 62: 62: lostStereoAnd.sdf 62: 62: Test 62: 62: DoubleBondChain.sdf 62: 62: Test 62: 62: UnitsError.sdf 62: 62: Test 62: 62: StarAtom.sdf 62: 62: Test 62: 62: nonProprietary.mol 62: 62: Test 62: 62: ChiralTest.sdf 62: 62: Test 62: 62: TestBond1.mol 62: 62: Test 62: 62: Sgroup_MUL_ParentInMiddle.sdf 62: 62: Test 62: 62: Cubane.mrv 62: 62: Test 62: 62: NewChiralTest.mrv 62: 62: Test 62: 62: NewChiralTest.mrv 62: 62: Test 62: 62: NewChiralTestNoChiral.mrv 62: 62: Test 62: 62: NewChiralTestNoChiral.mrv 62: 62: Test 62: 62: NewChiralTestAllChiral.mrv 62: 62: Test 62: 62: NewChiralTestAllChiral.mrv 62: 62: Test 62: 62: lostStereoAnd.mrv 62: 62: Test 62: 62: DoubleBondChain.mrv 62: 62: Test 62: 62: WigglyAndCrossed.mrv 62: 62: Test 62: 62: BondTypes.mrv 62: 62: Test 62: 62: EmbeddedSGroupSUP_MUL.mrv 62: 62: Test 62: 62: EmbeddedSgroupCOP_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupDAT_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupMULTICENTER_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupMUL_MUL.mrv 62: 62: Test 62: 62: EmbeddedSgroupMUL_MUL2.mrv 62: 62: Test 62: 62: EmbeddedSgroupMUL_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupSRU_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupSUPEXP_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupSUPEXP_SUP2.mrv 62: 62: Test 62: 62: EmbeddedSgroupSUP_MULTICENTER.mrv 62: 62: Test 62: 62: EmbeddedSgroupSUP_SUP.mrv 62: 62: Test 62: 62: EmbeddedSgroupSUP_SUP2.mrv 62: 62: Test 62: 62: RgroupBad.mrv 62: 62: Test 62: 62: valenceLessThanDrawn.mrv 62: 62: Test 62: 62: data_sgroup_no_fieldname.mrv 62: 62: Test 62: 62: data_sgroup_empty_field_data.mrv 62: 62: Test 62: 62: radical_value.mrv 62: 62: Test 62: 62: emptyOneLineAtomList.mrv 62: 62: Test 62: 62: mrvValence_value.mrv 62: 62: Test 62: 62: ChiralTest2.mrv 62: 62: Test 62: 62: ChiralTest.mrv 62: 62: Test 62: 62: SnCl2.mrv 62: 62: Test 62: 62: SnH2Cl2.mrv 62: 62: Test 62: 62: marvin01.mrv 62: 62: Test 62: 62: marvin02.mrv 62: 62: Test 62: 62: marvin07.mrv 62: 62: Test 62: 62: marvin10.mrv 62: 62: Test 62: 62: marvin06.mrv 62: 62: Test 62: 62: marvin12.mrv 62: 62: Test 62: 62: EmptyMol.mrv 62: 62: Test 62: 62: Sparse.mrv 62: 62: Test 62: 62: Sparse2.mrv 62: 62: Test 62: 62: Sparse3.mrv 62: 62: Test 62: 62: MarvinNoCoords.mrv 62: 62: Test 62: 62: aspirin.mrv 62: 62: Test 62: 62: MarvinStereoGroupsZeros.mrv 62: 62: Test 62: 62: MarvinStereoGroupsAbs.mrv 62: 62: Test 62: 62: triphenylphosphine.mrv 62: 62: Test 62: 62: MarvinOldSuperGroupTest.mrv 62: 62: Test 62: 62: RadicalTests.mrv 62: 62: Test 62: 62: AnyBond.mrv 62: 62: Test 62: 62: cisBenzene.mrv 62: 62: Test 62: 62: DativeBond.mrv 62: 62: Test 62: 62: MultipleSgroup.mrv 62: 62: Test 62: 62: SgroupExpanded.mrv 62: 62: Test 62: 62: SgroupMultAttach.mrv 62: 62: Test 62: 62: MarvinMissingX2.mrv 62: 62: Test 62: 62: MarvinMissingY2.mrv 62: 62: Test 62: 62: DataSgroup.mrv 62: 62: Test 62: 62: MulticenterSgroup.mrv 62: 62: [12:24:55] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 62: [12:24:55] Can't kekulize mol. Unkekulized atoms: 6 7 8 9 10 62: Test 62: 62: GenericSgroup.mrv 62: 62: Test 62: 62: MonomerSgroup.mrv 62: 62: Test 62: 62: modification_sgroup.mrv 62: 62: Test 62: 62: copolymer_sgroup.mrv 62: 62: Test 62: 62: MultipleSgroupParentInMiddleOfAtomBlock.mrv 62: 62: Test 62: 62: EmbeddedSgroups.mrv 62: 62: Test 62: 62: marvin03.mrv 62: 62: Test 62: 62: MarvinBadMissingMolID.mrv 62: 62: [12:24:55] 62: 62: **** 62: Test Assert 62: Expression Failed: 62: Violation occurred on line 309 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp 62: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr 62: **** 62: 62: Test 62: 62: MarvinBadMissingAtomID.mrv 62: 62: Expected id, elementType for an atom definition in MRV file 62: Test 62: 62: MarvinBadX2.mrv 62: 62: The values x2 and y2 must be large floats in MRV file 62: Test 62: 62: MarvinBadY2.mrv 62: 62: The values x2 and y2 must be large floats in MRV file 62: Test 62: 62: MarvinBadStereoGroupsAbs.mrv 62: 62: Unrecognized group definition 62: Test 62: 62: MarvinBadElementType.mrv 62: 62: Test 62: 62: MarvinBadMissingBondID.mrv 62: 62: Test 62: 62: MarvinBadMissingBondAtomRefs 62: 62: Test 62: 62: MarvinBadMissingBondOrder.mrv 62: 62: bond must have one of: order, queryType, or convention in MRV File 62: Test 62: 62: MarvinBadMissingSruMolID.mrv 62: 62: Expected a molID in MRV file 63: [12:24:55] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 63: [12:24:55] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 63: [12:24:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 62: Test 62: 62: MarvinBadMissingSruID.mrv 62: 62: Test 62: 62: MarvinBadMissingSruRole.mrv 62: 62: Test 62: 62: MarvinBadMissingSruAtomRef.mrv 62: 62: Test 62: 62: MarvinBadMissingSruTitle.mrv 62: 62: Test 62: 62: MarvinBadSruAtomRef.mrv 62: 62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 62: Test 62: 62: MarvinBadSruID.mrv 62: 62: Test 62: 62: MarvinBadSruRole.mrv 62: 62: Test 62: 62: MarvinBadSruAtomRef.mrv 62: 62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 62: Test 62: 62: MarvinBadSruAtomRef.mrv 62: 62: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent 62: Test 62: 62: MarvinBadSruConnect.mrv 62: 62: Expected a connect string of "hh, ht, eu" for a SruSgroup definition in MRV file 62: Test 62: 62: MarvinBadSupAttachAtom.mrv 62: 62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 62: Test 62: 62: MarvinBadSupAttachBond.mrv 62: 62: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file 62: Test 62: 62: MarvinBadSupAttachOrder.mrv 62: 62: Order for an AttachmentPoint definition must be an integer in MRV file 62: Test 62: 62: MarvinBadSupAttachAtom.mrv 62: 62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 62: Test 62: 62: MarvinBadSupAttachAtom.mrv 62: 62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 62: Test 62: 62: MarvinBadSupAttachAtom.mrv 62: 62: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file 62: Test 62: 62: MarvinBadSupMissingAttachBond.mrv 62: 62: No attachment point found for bond to the condensed atom in a superatomSgroup 62: Test 62: 62: MarvinBadSupMissingAttachOrder.mrv 62: 62: Expected atom, order and bond, for an AttachmentPoint definition in MRV file 63: generating smiles 63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 63: converting back 59: [12:24:55] Warning: stereochemistry around double bond may be incorrect in depiction. 63: check isomorphism 62: Test 62: 62: marvin03.mrv 62: 62: Test 62: 62: AlexRxn.mrv 62: 62: Test 62: 62: BadReactionSign.mrv 62: 62: Test 62: 62: bondArray_node.mrv 62: 62: Test 62: 62: marvin03.mrv 62: 62: Test 62: 62: marvin04.mrv 62: 62: Test 62: 62: marvin08.mrv 62: 62: Test 62: 62: marvin09.mrv 62: 62: Test 62: 62: marvin11.mrv 62: 62: Test 62: 62: marvin05.mrv 62: 62: Test 62: 62: EmptyRxn.mrv 62: 62: [12:24:55] initialization failed 32: [12:24:55] Maximum BFS search size exceeded. 32: This is likely due to a highly symmetric fused ring system. 62: Test 62: 62: RxnNoCoords.mrv 62: 62: Test 62: 62: mrvValenceZero.mrv 62: 62: Test 62: 62: condition_coordinates_mpoint.mrv 62: 62: Test 62: 62: marvin01.mrv 62: 62: Test 62: 62: aspirineSynthesisWithAttributes.mrv 62: 62: Test 62: 62: marvin01.mrv 62: 62: Test 62: 62: NewChiralTest 62: 62: Test 62: 62: NewChiralTest 62: 62: Test 62: 62: NewChiralTestNoChiral 62: 62: Test 62: 62: NewChiralTestNoChiral 62: 62: Test 62: 62: NewChiralTest2 62: 62: Test 62: 62: NewChiralTest2 62: 62: Test 62: 62: NewChiralTest2AllChiral 62: 62: Test 62: 62: NewChiralTest2AllChiral 62: 62: Test 62: 62: DoubleBondChain 62: 62: Test 62: 62: Na_Mg_Al_OH 62: 62: Test 62: 62: Pb 62: 62: Test 62: 62: O_Mg_Si 62: 62: Test 62: 62: SquiggleBond 62: 62: Test 62: 62: BigMacrocycle 62: 62: Test 62: 62: Smiles1 62: 52/222 Test #62: testMrvToMol ........................... Passed 0.56 sec test 64 Start 64: testMolSupplier 64: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier 64: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 64: Test timeout computed to be: 1500 32: F/C=C/Cl 32: [H]/C(F)=C(/[H])Cl 32: F/C=C/Cl 32: F/C=C/Cl 32: C/C(F)=C(/C)Cl 64: [12:24:55] 64: ----------------------------------------- 53/222 Test #32: graphmolMolOpsTest ..................... Passed 2.01 sec test 65 Start 65: testGeneralFileReader 65: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader 65: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 65: Test timeout computed to be: 1500 64: [12:24:55] 64: 64: **** 64: Invariant Violation 64: bad prop value 64: Violation occurred on line 158 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 64: Failed Expression: nSwaps < 2 64: **** 64: 54/222 Test #59: testDepictor ........................... Passed 0.76 sec test 66 Start 66: testMultithreadedMolSupplier 66: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier 66: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 66: Test timeout computed to be: 1500 65: [12:24:55] 65: ----------------------------------------- 65: [12:24:55] Finished: testDetermineFormat() 65: [12:24:55] ----------------------------------------- 65: 65: [12:24:55] 65: ----------------------------------------- 66: [12:24:55] 66: ----------------------------------------- 65: [12:24:55] Finished: testSdf() 65: [12:24:55] ----------------------------------------- 65: 65: [12:24:55] 65: ----------------------------------------- 65: [12:24:55] Finished: testSmi() 65: [12:24:55] ----------------------------------------- 65: 65: [12:24:55] 65: ----------------------------------------- 64: [12:24:55] Finished: testMolSup() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testRandMolSup() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSmilesSup() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ------------------------------------------------------ 64: [12:24:55] SMILES Parse Error: syntax error while parsing: fail 64: [12:24:55] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 64: [12:24:55] ERROR: Smiles parse error on line 3 64: [12:24:55] ERROR: Cannot create molecule from : 'fail' 64: [12:24:55] ------------------------------------------------------ 64: [12:24:55] ------------------------------------------------------ 64: [12:24:55] >>> This may result in an infinite loop. It should finish almost immediately: 64: [12:24:55] <<< done. 64: [12:24:55] Finished: testSmilesSupFromText() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSmilesWriter() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 55: Randomness seeded to: 1855267671 55: =============================================================================== 55: All tests passed (1902 assertions in 21 test cases) 55: 55/222 Test #55: cxsmilesTest ........................... Passed 1.34 sec test 67 Start 67: testMolWriter 67: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter 67: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 67: Test timeout computed to be: 1500 64: [12:24:55] Finished: testSDWriter() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSDSupplierEnding() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSuppliersEmptyFile() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testCisTrans() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testStereoRound() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 64: [12:24:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 64: [12:24:55] Finished: testIssue226() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testTDTSupplier1() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testTDTSupplier2() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testTDTSupplier3() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSDSupplierFromText() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Spurious data before the first property will be ignored 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Finished: testSDSupplierStrLax1() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Finished: testSDSupplierStrLax2() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Spurious data before the first property will be ignored 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Finished: testSDSupplierFromTextStrLax1() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: Problems encountered parsing data fields 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Property will be truncated after the first blank line 64: [12:24:55] Finished: testSDSupplierFromTextStrLax2() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testIssue265() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: End of data field name not found 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Explicit valence for atom # 0 F, 2, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule ending on line 16 64: [12:24:55] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 64: [12:24:55] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] ERROR: Bond line too short: 'M END' on line 18 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Finished: testSDErrorHandling() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testIssue381() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 65: [12:24:55] Finished: testMae() 65: [12:24:55] ----------------------------------------- 65: 65: [12:24:55] 65: ----------------------------------------- 65: [12:24:55] Finished: testTdt() 65: [12:24:55] ----------------------------------------- 65: 56/222 Test #65: testGeneralFileReader .................. Passed 0.30 sec test 68 Start 68: testTplParser 68: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testTplParser 68: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 68: Test timeout computed to be: 1500 64: [12:24:55] Finished: testSetStreamIndices() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testMixIterAndRandom() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: build: 64: [12:24:55] Finished: testRemoveHs() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testGetItemText() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 57/222 Test #68: testTplParser .......................... Passed 0.05 sec test 69 Start 69: testMol2ToMol 69: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol 69: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 69: Test timeout computed to be: 1500 64: [12:24:55] Finished: testForwardSDSupplier() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testMissingCRSDSupplier() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testIssue3482695() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] ERROR: Cannot convert 'foo' to unsigned int on line 557 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Finished: testIssue3525673() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testBlankLinesInProps() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testSkipLines() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testGitHub23() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testGitHub88() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testGitHub2285() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 64: [12:24:55] ERROR: Smiles parse error on line 1 64: [12:24:55] ERROR: Cannot create molecule from : 'c1ccccc' 64: [12:24:55] SMILES Parse Error: extra open parentheses for input: 'C(C' 64: [12:24:55] ERROR: Smiles parse error on line 3 64: [12:24:55] ERROR: Cannot create molecule from : 'C(C' 64: [12:24:55] Explicit valence for atom # 1 C, 5, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule on line 5 64: [12:24:55] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 64: [12:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule ending on line 21 64: [12:24:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule ending on line 21 64: [12:24:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule ending on line 21 64: [12:24:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Atom line too short: ' -9.6' on line 28 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Could not sanitize molecule ending on line 21 64: [12:24:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 64: [12:24:55] ERROR: Atom line too short: ' -9.6' on line 28 64: [12:24:55] ERROR: moving to the beginning of the next molecule 64: [12:24:55] Finished: testGitHub2479() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] 64: 64: **** 64: Invariant Violation 64: bad chiral bond 64: Violation occurred on line 164 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 64: Failed Expression: bnd 64: **** 64: 64: [12:24:55] Finished: testGitHub2881() 64: [12:24:55] ----------------------------------------- 64: 64: [12:24:55] ----------------------------------------- 64: [12:24:55] Finished: testGitHub3517() 64: [12:24:55] ----------------------------------------- 64: 58/222 Test #64: testMolSupplier ........................ Passed 0.50 sec test 70 Start 70: testSequence 70: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testSequence 70: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 70: Test timeout computed to be: 1500 59/222 Test #69: testMol2ToMol .......................... Passed 0.09 sec test 71 Start 71: testExtendedStereoParsing 71: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing 71: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 71: Test timeout computed to be: 1500 70: Sequence: GREG 70: HELM: PEPTIDE1{G.R.E.G}$$$$ 70: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 70: PDB: 70: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: CONECT 1 2 70: CONECT 2 3 70: CONECT 3 4 4 5 70: CONECT 5 6 70: CONECT 6 7 9 70: CONECT 7 8 8 16 70: CONECT 9 10 70: CONECT 10 11 70: CONECT 11 12 70: CONECT 12 13 70: CONECT 13 14 14 15 70: CONECT 16 17 70: CONECT 17 18 20 70: CONECT 18 19 19 25 70: CONECT 20 21 70: CONECT 21 22 70: CONECT 22 23 23 24 70: CONECT 25 26 70: CONECT 26 27 70: CONECT 27 28 28 29 70: END 70: 70: Sequence: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN 70: HELM: PEPTIDE1{T.T.C.C.P.S.I.V.A.R.S.N.F.N.V.C.R.L.P.G.T.P.E.A.I.C.A.T.Y.T.G.C.I.I.I.P.G.A.T.C.P.G.D.Y.A.N}$$$$ 70: Smiles: CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O 70: PDB: 70: ATOM 1 N THR A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA THR A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C THR A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O THR A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 CB THR A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 6 OG1 THR A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 7 CG2 THR A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 8 N THR A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 9 CA THR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 10 C THR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 11 O THR A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 12 CB THR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 13 OG1 THR A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 14 CG2 THR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 15 N CYS A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 16 CA CYS A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 17 C CYS A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 18 O CYS A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 19 CB CYS A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 20 SG CYS A 3 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 21 N CYS A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 22 CA CYS A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 23 C CYS A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 24 O CYS A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 25 CB CYS A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 26 SG CYS A 4 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 27 N PRO A 5 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 28 CA PRO A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 29 C PRO A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 30 O PRO A 5 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 31 CB PRO A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 32 CG PRO A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 33 CD PRO A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 34 N SER A 6 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 35 CA SER A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 36 C SER A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 37 O SER A 6 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 38 CB SER A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 39 OG SER A 6 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 40 N ILE A 7 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 41 CA ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 42 C ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 43 O ILE A 7 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 44 CB ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 45 CG1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 46 CG2 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 47 CD1 ILE A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 48 N VAL A 8 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 49 CA VAL A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 50 C VAL A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 51 O VAL A 8 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 52 CB VAL A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 53 CG1 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 54 CG2 VAL A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 55 N ALA A 9 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 56 CA ALA A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 57 C ALA A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 58 O ALA A 9 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 59 CB ALA A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 60 N ARG A 10 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 61 CA ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 62 C ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 63 O ARG A 10 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 64 CB ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 65 CG ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 66 CD ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 67 NE ARG A 10 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 68 CZ ARG A 10 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 69 NH1 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 70 NH2 ARG A 10 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 71 N SER A 11 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 72 CA SER A 11 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 73 C SER A 11 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 74 O SER A 11 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 75 CB SER A 11 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 76 OG SER A 11 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 77 N ASN A 12 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 78 CA ASN A 12 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 79 C ASN A 12 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 80 O ASN A 12 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 81 CB ASN A 12 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 82 CG ASN A 12 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 83 OD1 ASN A 12 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 84 ND2 ASN A 12 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 85 N PHE A 13 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 86 CA PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 87 C PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 88 O PHE A 13 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 89 CB PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 90 CG PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 91 CD1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 92 CD2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 93 CE1 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 94 CE2 PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 95 CZ PHE A 13 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 96 N ASN A 14 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 97 CA ASN A 14 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 98 C ASN A 14 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 99 O ASN A 14 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 100 CB ASN A 14 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 101 CG ASN A 14 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 102 OD1 ASN A 14 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 103 ND2 ASN A 14 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 104 N VAL A 15 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 105 CA VAL A 15 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 106 C VAL A 15 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 107 O VAL A 15 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 108 CB VAL A 15 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 109 CG1 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 110 CG2 VAL A 15 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 111 N CYS A 16 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 112 CA CYS A 16 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 113 C CYS A 16 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 114 O CYS A 16 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 115 CB CYS A 16 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 116 SG CYS A 16 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 117 N ARG A 17 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 118 CA ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 119 C ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 120 O ARG A 17 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 121 CB ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 122 CG ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 123 CD ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 124 NE ARG A 17 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 125 CZ ARG A 17 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 126 NH1 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 127 NH2 ARG A 17 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 128 N LEU A 18 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 129 CA LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 130 C LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 131 O LEU A 18 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 132 CB LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 133 CG LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 134 CD1 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 135 CD2 LEU A 18 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 136 N PRO A 19 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 137 CA PRO A 19 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 138 C PRO A 19 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 139 O PRO A 19 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 140 CB PRO A 19 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 141 CG PRO A 19 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 142 CD PRO A 19 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 143 N GLY A 20 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 144 CA GLY A 20 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 145 C GLY A 20 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 146 O GLY A 20 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 147 N THR A 21 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 148 CA THR A 21 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 149 C THR A 21 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 150 O THR A 21 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 151 CB THR A 21 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 152 OG1 THR A 21 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 153 CG2 THR A 21 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 154 N PRO A 22 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 155 CA PRO A 22 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 156 C PRO A 22 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 157 O PRO A 22 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 158 CB PRO A 22 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 159 CG PRO A 22 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 160 CD PRO A 22 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 161 N GLU A 23 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 162 CA GLU A 23 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 163 C GLU A 23 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 164 O GLU A 23 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 165 CB GLU A 23 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 166 CG GLU A 23 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 167 CD GLU A 23 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 168 OE1 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 169 OE2 GLU A 23 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 170 N ALA A 24 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 171 CA ALA A 24 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 172 C ALA A 24 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 173 O ALA A 24 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 174 CB ALA A 24 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 175 N ILE A 25 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 176 CA ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 177 C ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 178 O ILE A 25 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 179 CB ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 180 CG1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 181 CG2 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 182 CD1 ILE A 25 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 183 N CYS A 26 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 184 CA CYS A 26 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 185 C CYS A 26 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 186 O CYS A 26 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 187 CB CYS A 26 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 188 SG CYS A 26 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 189 N ALA A 27 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 190 CA ALA A 27 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 191 C ALA A 27 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 192 O ALA A 27 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 193 CB ALA A 27 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 194 N THR A 28 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 195 CA THR A 28 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 196 C THR A 28 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 197 O THR A 28 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 198 CB THR A 28 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 199 OG1 THR A 28 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 200 CG2 THR A 28 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 201 N TYR A 29 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 202 CA TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 203 C TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 204 O TYR A 29 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 205 CB TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 206 CG TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 207 CD1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 208 CD2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 209 CE1 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 210 CE2 TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 211 CZ TYR A 29 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 212 OH TYR A 29 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 213 N THR A 30 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 214 CA THR A 30 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 215 C THR A 30 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 216 O THR A 30 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 217 CB THR A 30 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 218 OG1 THR A 30 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 219 CG2 THR A 30 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 220 N GLY A 31 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 221 CA GLY A 31 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 222 C GLY A 31 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 223 O GLY A 31 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 224 N CYS A 32 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 225 CA CYS A 32 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 226 C CYS A 32 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 227 O CYS A 32 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 228 CB CYS A 32 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 229 SG CYS A 32 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 230 N ILE A 33 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 231 CA ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 232 C ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 233 O ILE A 33 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 234 CB ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 235 CG1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 236 CG2 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 237 CD1 ILE A 33 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 238 N ILE A 34 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 239 CA ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 240 C ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 241 O ILE A 34 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 242 CB ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 243 CG1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 244 CG2 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 245 CD1 ILE A 34 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 246 N ILE A 35 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 247 CA ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 248 C ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 249 O ILE A 35 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 250 CB ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 251 CG1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 252 CG2 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 253 CD1 ILE A 35 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 254 N PRO A 36 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 255 CA PRO A 36 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 256 C PRO A 36 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 257 O PRO A 36 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 258 CB PRO A 36 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 259 CG PRO A 36 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 260 CD PRO A 36 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 261 N GLY A 37 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 262 CA GLY A 37 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 263 C GLY A 37 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 264 O GLY A 37 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 265 N ALA A 38 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 266 CA ALA A 38 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 267 C ALA A 38 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 268 O ALA A 38 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 269 CB ALA A 38 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 270 N THR A 39 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 271 CA THR A 39 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 272 C THR A 39 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 273 O THR A 39 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 274 CB THR A 39 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 275 OG1 THR A 39 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 276 CG2 THR A 39 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 277 N CYS A 40 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 278 CA CYS A 40 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 279 C CYS A 40 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 280 O CYS A 40 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 281 CB CYS A 40 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 282 SG CYS A 40 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 283 N PRO A 41 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 284 CA PRO A 41 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 285 C PRO A 41 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 286 O PRO A 41 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 287 CB PRO A 41 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 288 CG PRO A 41 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 289 CD PRO A 41 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 290 N GLY A 42 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 291 CA GLY A 42 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 292 C GLY A 42 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 293 O GLY A 42 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 294 N ASP A 43 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 295 CA ASP A 43 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 296 C ASP A 43 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 297 O ASP A 43 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 298 CB ASP A 43 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 299 CG ASP A 43 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 300 OD1 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 301 OD2 ASP A 43 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 302 N TYR A 44 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 303 CA TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 304 C TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 305 O TYR A 44 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 306 CB TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 307 CG TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 308 CD1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 309 CD2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 310 CE1 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 311 CE2 TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 312 CZ TYR A 44 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 313 OH TYR A 44 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 314 N ALA A 45 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 315 CA ALA A 45 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 316 C ALA A 45 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 317 O ALA A 45 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 318 CB ALA A 45 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 319 N ASN A 46 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 320 CA ASN A 46 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 321 C ASN A 46 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 322 O ASN A 46 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 323 CB ASN A 46 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 324 CG ASN A 46 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 325 OD1 ASN A 46 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 326 ND2 ASN A 46 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 327 OXT ASN A 46 0.000 0.000 0.000 1.00 0.00 O 70: CONECT 1 2 70: CONECT 2 3 5 70: CONECT 3 4 4 8 70: CONECT 5 6 7 70: CONECT 8 9 70: CONECT 9 10 12 70: CONECT 10 11 11 15 70: CONECT 12 13 14 70: CONECT 15 16 70: CONECT 16 17 19 70: CONECT 17 18 18 21 70: CONECT 19 20 70: CONECT 21 22 70: CONECT 22 23 25 70: CONECT 23 24 24 27 70: CONECT 25 26 70: CONECT 27 28 33 70: CONECT 28 29 31 70: CONECT 29 30 30 34 70: CONECT 31 32 70: CONECT 32 33 70: CONECT 34 35 70: CONECT 35 36 38 70: CONECT 36 37 37 40 70: CONECT 38 39 70: CONECT 40 41 70: CONECT 41 42 44 70: CONECT 42 43 43 48 70: CONECT 44 45 46 70: CONECT 46 47 70: CONECT 48 49 70: CONECT 49 50 52 70: CONECT 50 51 51 55 70: CONECT 52 53 54 70: CONECT 55 56 70: CONECT 56 57 59 70: CONECT 57 58 58 60 70: CONECT 60 61 70: CONECT 61 62 64 70: CONECT 62 63 63 71 70: CONECT 64 65 70: CONECT 65 66 70: CONECT 66 67 70: CONECT 67 68 70: CONECT 68 69 69 70 70: CONECT 71 72 70: CONECT 72 73 75 70: CONECT 73 74 74 77 70: CONECT 75 76 70: CONECT 77 78 70: CONECT 78 79 81 70: CONECT 79 80 80 85 70: CONECT 81 82 70: CONECT 82 83 83 84 70: CONECT 85 86 70: CONECT 86 87 89 70: CONECT 87 88 88 96 70: CONECT 89 90 70: CONECT 90 91 91 92 70: CONECT 91 93 70: CONECT 92 94 94 70: CONECT 93 95 95 70: CONECT 94 95 70: CONECT 96 97 70: CONECT 97 98 100 70: CONECT 98 99 99 104 70: CONECT 100 101 70: CONECT 101 102 102 103 70: CONECT 104 105 70: CONECT 105 106 108 70: CONECT 106 107 107 111 70: CONECT 108 109 110 70: CONECT 111 112 70: CONECT 112 113 115 70: CONECT 113 114 114 117 70: CONECT 115 116 70: CONECT 117 118 70: CONECT 118 119 121 70: CONECT 119 120 120 128 70: CONECT 121 122 70: CONECT 122 123 70: CONECT 123 124 70: CONECT 124 125 70: CONECT 125 126 126 127 70: CONECT 128 129 70: CONECT 129 130 132 70: CONECT 130 131 131 136 70: CONECT 132 133 70: CONECT 133 134 135 70: CONECT 136 137 142 70: CONECT 137 138 140 70: CONECT 138 139 139 143 70: CONECT 140 141 70: CONECT 141 142 70: CONECT 143 144 70: CONECT 144 145 70: CONECT 145 146 146 147 70: CONECT 147 148 70: CONECT 148 149 151 70: CONECT 149 150 150 154 70: CONECT 151 152 153 70: CONECT 154 155 160 70: CONECT 155 156 158 70: CONECT 156 157 157 161 70: CONECT 158 159 70: CONECT 159 160 70: CONECT 161 162 70: CONECT 162 163 165 70: CONECT 163 164 164 170 70: CONECT 165 166 70: CONECT 166 167 70: CONECT 167 168 168 169 70: CONECT 170 171 70: CONECT 171 172 174 70: CONECT 172 173 173 175 70: CONECT 175 176 70: CONECT 176 177 179 70: CONECT 177 178 178 183 70: CONECT 179 180 181 70: CONECT 181 182 70: CONECT 183 184 70: CONECT 184 185 187 70: CONECT 185 186 186 189 70: CONECT 187 188 70: CONECT 189 190 70: CONECT 190 191 193 70: CONECT 191 192 192 194 70: CONECT 194 195 70: CONECT 195 196 198 70: CONECT 196 197 197 201 70: CONECT 198 199 200 70: CONECT 201 202 70: CONECT 202 203 205 70: CONECT 203 204 204 213 70: CONECT 205 206 70: CONECT 206 207 207 208 70: CONECT 207 209 70: CONECT 208 210 210 70: CONECT 209 211 211 70: CONECT 210 211 70: CONECT 211 212 70: CONECT 213 214 70: CONECT 214 215 217 70: CONECT 215 216 216 220 70: CONECT 217 218 219 70: CONECT 220 221 70: CONECT 221 222 70: CONECT 222 223 223 224 70: CONECT 224 225 70: CONECT 225 226 228 70: CONECT 226 227 227 230 70: CONECT 228 229 70: CONECT 230 231 70: CONECT 231 232 234 70: CONECT 232 233 233 238 70: CONECT 234 235 236 70: CONECT 236 237 70: CONECT 238 239 70: CONECT 239 240 242 70: CONECT 240 241 241 246 70: CONECT 242 243 244 70: CONECT 244 245 70: CONECT 246 247 70: CONECT 247 248 250 70: CONECT 248 249 249 254 70: CONECT 250 251 252 70: CONECT 252 253 70: CONECT 254 255 260 70: CONECT 255 256 258 70: CONECT 256 257 257 261 70: CONECT 258 259 70: CONECT 259 260 70: CONECT 261 262 70: CONECT 262 263 70: CONECT 263 264 264 265 70: CONECT 265 266 70: CONECT 266 267 269 70: CONECT 267 268 268 270 70: CONECT 270 271 70: CONECT 271 272 274 70: CONECT 272 273 273 277 70: CONECT 274 275 276 70: CONECT 277 278 70: CONECT 278 279 281 70: CONECT 279 280 280 283 70: CONECT 281 282 70: CONECT 283 284 289 70: CONECT 284 285 287 70: CONECT 285 286 286 290 70: CONECT 287 288 70: CONECT 288 289 70: CONECT 290 291 70: CONECT 291 292 70: CONECT 292 293 293 294 70: CONECT 294 295 70: CONECT 295 296 298 70: CONECT 296 297 297 302 70: CONECT 298 299 70: CONECT 299 300 300 301 70: CONECT 302 303 70: CONECT 303 304 306 70: CONECT 304 305 305 314 70: CONECT 306 307 70: CONECT 307 308 308 309 70: CONECT 308 310 70: CONECT 309 311 311 70: CONECT 310 312 312 70: CONECT 311 312 70: CONECT 312 313 70: CONECT 314 315 70: CONECT 315 316 318 70: CONECT 316 317 317 319 70: CONECT 319 320 70: CONECT 320 321 323 70: CONECT 321 322 322 327 70: CONECT 323 324 70: CONECT 324 325 325 326 70: END 70: 70: Sequence: GREG 70: HELM: PEPTIDE1{G.R.E.G}$$$$ 70: Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O 70: PDB: 70: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 23 OE1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 24 OE2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: CONECT 1 2 70: CONECT 2 3 70: CONECT 3 4 4 5 70: CONECT 5 6 70: CONECT 6 7 9 70: CONECT 7 8 8 16 70: CONECT 9 10 70: CONECT 10 11 70: CONECT 11 12 70: CONECT 12 13 70: CONECT 13 14 14 15 70: CONECT 16 17 70: CONECT 17 18 20 70: CONECT 18 19 19 25 70: CONECT 20 21 70: CONECT 21 22 70: CONECT 22 23 23 24 70: CONECT 25 26 70: CONECT 26 27 70: CONECT 27 28 28 29 70: END 70: 70: Sequence: CYIQNCPLG 70: HELM: PEPTIDE1{C.Y.I.Q.N.C.P.L.G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ 70: Smiles: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O 70: PDB: 70: ATOM 1 N CYS A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA CYS A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C CYS A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O CYS A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 CB CYS A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 6 SG CYS A 1 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 7 N TYR A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 8 CA TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 9 C TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 10 O TYR A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 11 CB TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 12 CG TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 13 CD1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 14 CD2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 15 CE1 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 16 CE2 TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 17 CZ TYR A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 18 OH TYR A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 19 N ILE A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 20 CA ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 21 C ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 22 O ILE A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 23 CB ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 24 CG1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 25 CG2 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 26 CD1 ILE A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 27 N GLN A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 28 CA GLN A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 29 C GLN A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 30 O GLN A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 31 CB GLN A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 32 CG GLN A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 33 CD GLN A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 34 OE1 GLN A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 35 NE2 GLN A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 36 N ASN A 5 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 37 CA ASN A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 38 C ASN A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 39 O ASN A 5 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 40 CB ASN A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 41 CG ASN A 5 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 42 OD1 ASN A 5 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 43 ND2 ASN A 5 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 44 N CYS A 6 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 45 CA CYS A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 46 C CYS A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 47 O CYS A 6 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 48 CB CYS A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 49 SG CYS A 6 0.000 0.000 0.000 1.00 0.00 S 70: ATOM 50 N PRO A 7 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 51 CA PRO A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 52 C PRO A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 53 O PRO A 7 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 54 CB PRO A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 55 CG PRO A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 56 CD PRO A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 57 N LEU A 8 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 58 CA LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 59 C LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 60 O LEU A 8 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 61 CB LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 62 CG LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 63 CD1 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 64 CD2 LEU A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 65 N GLY A 9 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 66 CA GLY A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 67 C GLY A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 68 O GLY A 9 0.000 0.000 0.000 1.00 0.00 O 70: HETATM 69 N NH2 A 10 0.000 0.000 0.000 1.00 0.00 N 70: CONECT 1 2 70: CONECT 2 3 5 70: CONECT 3 4 4 7 70: CONECT 5 6 70: CONECT 6 49 70: CONECT 7 8 70: CONECT 8 9 11 70: CONECT 9 10 10 19 70: CONECT 11 12 70: CONECT 12 13 13 14 70: CONECT 13 15 70: CONECT 14 16 16 70: CONECT 15 17 17 70: CONECT 16 17 70: CONECT 17 18 70: CONECT 19 20 70: CONECT 20 21 23 70: CONECT 21 22 22 27 70: CONECT 23 24 25 70: CONECT 25 26 70: CONECT 27 28 70: CONECT 28 29 31 70: CONECT 29 30 30 36 70: CONECT 31 32 70: CONECT 32 33 70: CONECT 33 34 34 35 70: CONECT 36 37 70: CONECT 37 38 40 70: CONECT 38 39 39 44 70: CONECT 40 41 70: CONECT 41 42 42 43 70: CONECT 44 45 70: CONECT 45 46 48 70: CONECT 46 47 47 50 70: CONECT 48 49 70: CONECT 50 51 56 70: CONECT 51 52 54 70: CONECT 52 53 53 57 70: CONECT 54 55 70: CONECT 55 56 70: CONECT 57 58 70: CONECT 58 59 61 70: CONECT 59 60 60 65 70: CONECT 61 62 70: CONECT 62 63 64 70: CONECT 65 66 70: CONECT 66 67 70: CONECT 67 68 68 69 70: END 70: 70: Sequence: LfPVXLfPVX 70: HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$ 70: Smiles: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O 70: PDB: 70: ATOM 1 N LEU A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O LEU A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 CB LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 6 CG LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 7 CD1 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 8 CD2 LEU A 1 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 9 N DPN A 2 0.000 0.000 0.000 1.00 0.00 N 70: HETATM 10 CA DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 11 C DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 12 O DPN A 2 0.000 0.000 0.000 1.00 0.00 O 70: HETATM 13 CB DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 14 CG DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 15 CD1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 16 CD2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 17 CE1 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 18 CE2 DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 19 CZ DPN A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 20 N PRO A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 21 CA PRO A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 22 C PRO A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 23 O PRO A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 24 CB PRO A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 25 CG PRO A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 26 CD PRO A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 27 N VAL A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 28 CA VAL A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 29 C VAL A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 30 O VAL A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 31 CB VAL A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 32 CG1 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 33 CG2 VAL A 4 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 34 N ORN A 5 0.000 0.000 0.000 1.00 0.00 N 70: HETATM 35 CA ORN A 5 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 36 C ORN A 5 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 37 O ORN A 5 0.000 0.000 0.000 1.00 0.00 O 70: HETATM 38 CB ORN A 5 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 39 CG ORN A 5 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 40 CD ORN A 5 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 41 NE ORN A 5 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 42 N LEU A 6 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 43 CA LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 44 C LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 45 O LEU A 6 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 46 CB LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 47 CG LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 48 CD1 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 49 CD2 LEU A 6 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 50 N DPN A 7 0.000 0.000 0.000 1.00 0.00 N 70: HETATM 51 CA DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 52 C DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 53 O DPN A 7 0.000 0.000 0.000 1.00 0.00 O 70: HETATM 54 CB DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 55 CG DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 56 CD1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 57 CD2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 58 CE1 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 59 CE2 DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 60 CZ DPN A 7 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 61 N PRO A 8 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 62 CA PRO A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 63 C PRO A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 64 O PRO A 8 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 65 CB PRO A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 66 CG PRO A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 67 CD PRO A 8 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 68 N VAL A 9 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 69 CA VAL A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 70 C VAL A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 71 O VAL A 9 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 72 CB VAL A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 73 CG1 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 74 CG2 VAL A 9 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 75 N ORN A 10 0.000 0.000 0.000 1.00 0.00 N 70: HETATM 76 CA ORN A 10 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 77 C ORN A 10 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 78 O ORN A 10 0.000 0.000 0.000 1.00 0.00 O 70: HETATM 79 CB ORN A 10 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 80 CG ORN A 10 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 81 CD ORN A 10 0.000 0.000 0.000 1.00 0.00 C 70: HETATM 82 NE ORN A 10 0.000 0.000 0.000 1.00 0.00 N 70: CONECT 1 2 77 70: CONECT 2 3 5 70: CONECT 3 4 4 9 70: CONECT 5 6 70: CONECT 6 7 8 70: CONECT 9 10 70: CONECT 10 11 13 70: CONECT 11 12 12 20 70: CONECT 13 14 70: CONECT 14 15 15 16 70: CONECT 15 17 70: CONECT 16 18 18 70: CONECT 17 19 19 70: CONECT 18 19 70: CONECT 20 21 26 70: CONECT 21 22 24 70: CONECT 22 23 23 27 70: CONECT 24 25 70: CONECT 25 26 70: CONECT 27 28 70: CONECT 28 29 31 70: CONECT 29 30 30 34 70: CONECT 31 32 33 70: CONECT 34 35 70: CONECT 35 36 38 70: CONECT 36 37 37 42 70: CONECT 38 39 70: CONECT 39 40 70: CONECT 40 41 70: CONECT 42 43 70: CONECT 43 44 46 70: CONECT 44 45 45 50 70: CONECT 46 47 70: CONECT 47 48 49 70: CONECT 50 51 70: CONECT 51 52 54 70: CONECT 52 53 53 61 70: CONECT 54 55 70: CONECT 55 56 56 57 70: CONECT 56 58 70: CONECT 57 59 59 70: CONECT 58 60 60 70: CONECT 59 60 70: CONECT 61 62 67 70: CONECT 62 63 65 70: CONECT 63 64 64 68 70: CONECT 65 66 70: CONECT 66 67 70: CONECT 68 69 70: CONECT 69 70 72 70: CONECT 70 71 71 75 70: CONECT 72 73 74 70: CONECT 75 76 70: CONECT 76 77 79 70: CONECT 77 78 78 70: CONECT 79 80 70: CONECT 80 81 70: CONECT 81 82 70: END 70: 70: Sequence: GREG 70: HELM: PEPTIDE1{G.R.E.G}$$$$ 70: Smiles: N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O 70: PDB: 70: ATOM 1 N GLY A 1 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 2 CA GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 3 C GLY A 1 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 4 O GLY A 1 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 5 N ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 6 CA ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 7 C ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 8 O ARG A 2 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 9 CB ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 10 CG ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 11 CD ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 12 NE ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 13 CZ ARG A 2 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 14 NH1 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 15 NH2 ARG A 2 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 16 N GLU A 3 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 17 CA GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 18 C GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 19 O GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 20 CB GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 21 CG GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 22 CD GLU A 3 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 23 OD1 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 24 OD2 GLU A 3 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 25 N GLY A 4 0.000 0.000 0.000 1.00 0.00 N 70: ATOM 26 CA GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 27 C GLY A 4 0.000 0.000 0.000 1.00 0.00 C 70: ATOM 28 O GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: ATOM 29 OXT GLY A 4 0.000 0.000 0.000 1.00 0.00 O 70: CONECT 1 2 70: CONECT 2 3 70: CONECT 3 4 4 5 70: CONECT 5 6 70: CONECT 6 7 9 70: CONECT 7 8 8 16 70: CONECT 9 10 70: CONECT 10 11 70: CONECT 11 12 70: CONECT 12 13 70: CONECT 13 14 14 15 70: CONECT 16 17 70: CONECT 17 18 20 70: CONECT 18 19 19 25 70: CONECT 20 21 70: CONECT 21 22 70: CONECT 22 23 23 24 70: CONECT 25 26 70: CONECT 26 27 70: CONECT 27 28 28 29 70: END 70: 60/222 Test #70: testSequence ........................... Passed 0.14 sec 61/222 Test #71: testExtendedStereoParsing .............. Passed 0.11 sec test 72 Start 72: fileParsersCatchTest 72: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest 72: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 72: Test timeout computed to be: 1500 test 73 Start 73: testPropertyLists 73: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists 73: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 73: Test timeout computed to be: 1500 72: Randomness seeded to: 1085143805 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 29 73: Randomness seeded to: 319661130 73: =============================================================================== 73: All tests passed (95 assertions in 4 test cases) 73: 62/222 Test #73: testPropertyLists ...................... Passed 0.08 sec test 74 Start 74: XYZFileParserCatchTest 74: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest 74: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 74: Test timeout computed to be: 1500 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 72: [12:24:56] Could not infer missing lvIdx on malformed SAP line for SGroup 1 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 28 72: [12:24:56] Could not infer missing lvIdx on malformed SAP line for SGroup 1 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 35 72: [12:24:56] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 72: [12:24:56] SGroup SAP line too short: 'M SAP 2 1 12' on line 38 72: [12:24:56] Could not infer missing lvIdx on malformed SAP line for SGroup 1 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup SAP line too short: 'M SAP 1 1 8' on line 34 72: [12:24:56] SGroup SAP line too short: 'M SAP 2 1 12' on line 39 72: [12:24:56] Could not infer missing lvIdx on malformed SAP line for SGroup 1 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup 3 referenced on line 40 not found. 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no bonds 72: Violation occurred on line 139 in file ./Code/GraphMol/SubstanceGroup.cpp 72: Failed Expression: !d_bonds.empty() 72: **** 72: 72: [12:24:56] SGroup 3 referenced on line 40 not found. 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no bonds 72: Violation occurred on line 139 in file ./Code/GraphMol/SubstanceGroup.cpp 72: Failed Expression: !d_bonds.empty() 72: **** 72: 72: [12:24:56] no bonds 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup line too short: 'M SBV 1 6' on line 42 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] SGroup line too short: 'M SBL 2 3 9 10' on line 46 72: [12:24:56] SGroup 2 is invalid and will be ignored 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bond is not part of the SubstanceGroup 72: Violation occurred on line 158 in file ./Code/GraphMol/SubstanceGroup.cpp 72: Failed Expression: std::find(d_bonds.begin(), d_bonds.end(), bondIdx) != d_bonds.end() 72: **** 72: 72: [12:24:56] bond is not part of the SubstanceGroup 72: [12:24:56] SGroup 2 is invalid and will be ignored 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup. 72: [12:24:56] SGroup 2 is invalid and will be ignored 72: [12:24:56] WARNING: final character of V3000 array is not ')' 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] WARNING: final character of V3000 array is not ')' 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] WARNING: final character of V3000 array is not ')' 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] WARNING: final character of V3000 array is not ')' 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] SGroup 1 is invalid and will be ignored 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 271 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_bondBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] SGroup 2 is invalid and will be ignored 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: bookmark not found 72: Violation occurred on line 249 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: (lu != d_atomBookmarks.end()) 72: **** 72: 72: [12:24:56] bookmark not found 72: [12:24:56] SGroup 2 is invalid and will be ignored 72: [12:24:56] Explicit valence for atom # 2 O, 3, is greater than permitted 72: [12:24:56] Explicit valence for atom # 1 O, 3, is greater than permitted 72: [12:24:56] Explicit valence for atom # 1 C, 5, is greater than permitted 67: [12:24:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: [12:24:56] sanitize [12:24:56] UNK: [12:24:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 67: [12:24:56] bond with order 0 found on line 11. This is not part of the MDL specification. 67: [12:24:56] bond with order 0 found on line 16. This is not part of the MDL specification. 72: [12:24:56] skipping block at line 7: 'BEGIN ATOM' 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no stream 72: Violation occurred on line 144 in file ./Code/GraphMol/FileParsers/SDMolSupplier.cpp 72: Failed Expression: dp_inStream 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no stream 72: Violation occurred on line 179 in file ./Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp 72: Failed Expression: dp_inStream 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no stream 72: Violation occurred on line 427 in file ./Code/GraphMol/FileParsers/SmilesMolSupplier.cpp 72: Failed Expression: dp_inStream 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no stream 72: Violation occurred on line 274 in file ./Code/GraphMol/FileParsers/TDTMolSupplier.cpp 72: Failed Expression: dp_inStream 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no stream 72: Violation occurred on line 515 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 72: Failed Expression: dp_sInStream != nullptr 72: **** 72: 63/222 Test #67: testMolWriter .......................... Passed 0.51 sec test 75 Start 75: cdxmlParserCatchTest 75: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest 75: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 75: Test timeout computed to be: 1500 74: Randomness seeded to: 4280310467 74: =============================================================================== 74: All tests passed (100 assertions in 2 test cases) 74: 72: [12:24:56] Found a SCD/SED line with missing/empty SDT specification at line 21 72: [12:24:56] Found a SCD/SED line with missing/empty SDT specification at line 20 72: [12:24:56] 72: 72: **** 72: Post-condition Violation 72: Element '' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: **** 72: 72: [12:24:56] BEGIN SGROUP line not found on line 14 72: [12:24:56] Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped. 72: [12:24:56] END SGROUP line not found on line 14 72: [12:24:56] END SGROUP line not found on line 14 72: [12:24:56] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring. 72: [12:24:56] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring. 72: [12:24:56] 72: 72: **** 72: Range Error 72: idx 72: Violation occurred on line 328 in file ./Code/GraphMol/ROMol.cpp 72: Failed Expression: 99 < 9 72: **** 72: 72: [12:24:56] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring. 72: [12:24:56] Multiple ATTCHPT values for atom 2 on line 9 72: [12:24:56] Found a SCD/SED line with missing/empty SDT specification at line 12 72: [12:24:56] SMARTS Parse Error: syntax error while parsing: [#6;R 72: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R' 72: [12:24:56] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it. 72: [12:24:56] Skipping empty SMARTS value for SMARTSQ. 72: [12:24:56] unrecognized QUERYOP '>' for SMARTSQ. Query ignored. 72: [12:24:56] Found a SCD/SED line with missing/empty SDT specification at line 12 72: [12:24:56] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 64/222 Test #74: XYZFileParserCatchTest ................. Passed 0.10 sec test 76 Start 76: molfileStereoCatchTest 76: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest 76: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 76: Test timeout computed to be: 1500 72: [12:24:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: [12:24:56] WARNING: Skipping property bar because the value includes an illegal blank line 72: [12:24:56] WARNING: Skipping property baz because the value includes an illegal blank line 72: [12:24:56] WARNING: Skipping property bletch 72: nope because the name includes a newline 72: [12:24:56] WARNING: Skipping property bletch 72: nope2 because the name includes a newline 72: [12:24:56] 72: 72: **** 72: Post-condition Violation 72: Element 'QQQ' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Post-condition Violation 72: Element 'QQQ' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Post-condition Violation 72: Element 'QQQ' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Post-condition Violation 72: Element 'QQQ' not found 72: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 72: Failed Expression: anum > -1 72: **** 72: 72: [12:24:56] atom 3 has a negative isotope value. line: 15 72: [12:24:56] 72: 72: **** 72: Invariant Violation 72: bad prop value 72: Violation occurred on line 158 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 72: Failed Expression: nSwaps < 2 72: **** 72: 72: [12:24:56] 72: 72: **** 72: Pre-condition Violation 72: no input stream 72: Violation occurred on line 480 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp 72: Failed Expression: dp_sInStream 72: **** 72: 75: Randomness seeded to: 3057752620 75: [12:24:56] Invalid or missing fragment id from CDXML fragment, assigning new one... 75: [12:24:56] Explicit valence for atom # 3 N, 4, is greater than permitted 75: [12:24:56] CDXMLParser: failed sanitizing skipping fragment 32 75: [12:24:56] Bad bond in CDXML skipping fragment 58... 75: [12:24:56] Invalid or missing fragment id from CDXML fragment, assigning new one... 75: [12:24:56] Bad bond in CDXML skipping fragment 58... 76: Randomness seeded to: 1857474843 76: [12:24:56] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 76: [12:24:56] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 76: [12:24:56] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 76: [12:24:56] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored. 76: [12:24:56] Warning: ambiguous stereochemistry - linear bond arrangement - at atom 2 ignored 76: =============================================================================== 76: All tests passed (142 assertions in 6 test cases) 76: 61: ..............[12:24:56] SMILES Parse Error: syntax error while parsing: invalidsmiles 61: [12:24:56] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles' 65/222 Test #76: molfileStereoCatchTest ................. Passed 0.12 sec test 77 Start 77: connectTheDotsTest 77: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest 77: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FileParsers 77: Test timeout computed to be: 1500 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] WARNING: not removing hydrogen atom without neighbors 75: [12:24:56] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents fragment 64603 not found in document. 72: [12:24:56] ERROR: molecules without atoms cannot be exported to Maestro files. 72: [12:24:56] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 72: [12:24:56] ERROR: the mol cannot be kekulized, and will not be written to the output file. 72: [12:24:56] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file. 75: [12:24:56] Incomplete atom labelling, cannot make bond 75: [12:24:56] Incomplete atom labelling, cannot make bond 77: Randomness seeded to: 2064011142 77: =============================================================================== 77: All tests passed (8 assertions in 1 test case) 77: 72: [12:24:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: [12:24:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: [12:24:56] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 72: [12:24:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 72: =============================================================================== 72: All tests passed (1311 assertions in 87 test cases) 72: 66/222 Test #72: fileParsersCatchTest ................... Passed 0.41 sec test 78 Start 78: testSubstructMatch 78: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch 78: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct 78: Test timeout computed to be: 1500 67/222 Test #77: connectTheDotsTest ..................... Passed 0.09 sec test 79 Start 79: substructTestCatch 79: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch 79: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Substruct 79: Test timeout computed to be: 1500 75: [12:24:56] Incomplete atom labelling, cannot make bond 78: ----------------- Test 1 78: Done 78: 78: ----------------- Test 2 78: Done 78: 78: ----------------- Test 3 78: Done 78: 78: ----------------- Test 4 78: Done 78: 78: ----------------- Test 5 78: Done 78: 78: ----------------- Test 5 QueryRoot 78: Done 78: 78: ----------------- Test 6 (Issue71 related) 78: Done 78: 78: ----------------- Testing serial numbers on recursive queries 78: Done 78: 78: [12:24:56] ------------------------------------- 78: [12:24:56] Test multithreading 78: reading molecules 75: [12:24:56] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 75: [12:24:56] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas 75: [12:24:56] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast 75: [12:24:56] Failed to parse XML fragment 5 node: b attribute: Order: 5 75: =============================================================================== 75: All tests passed (252 assertions in 4 test cases) 75: 68/222 Test #75: cdxmlParserCatchTest ................... Passed 0.29 sec test 80 Start 80: testGenericGroups 80: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups 80: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GenericGroups 80: Test timeout computed to be: 1500 78: hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110 78: processing 78: launch :0 78: launch :1 78: launch :2 78: launch :3 61: ..... 61: ---------------------------------------------------------------------- 61: Ran 19 tests in 0.969s 61: 61: OK 78: done 78: hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110 78: processing2 78: launch2 :0 78: launch2 :1 78: launch2 :2 78: launch2 :3 69/222 Test #61: pyDepictor ............................. Passed 2.04 sec test 81 Start 81: testReaction 81: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReaction 81: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 81: Test timeout computed to be: 1500 78: done 78: preprocessing 3 78: hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110 78: processing3 78: launch3 :0 78: launch3 :1 78: launch3 :2 78: launch3 :3 81: smi: O=C1CNC(=O)CN1 81: 1: O=C1CNC(=O)CN1 81: 2: COOC 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 81: O=C1CNC(=O)CN1 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 4 81: [12:24:56] atom 0 in product 0 has multiple charge specifications. 81: mass: 15.0001 81: Oc1ccccn1 81: Oc1ccc[nH]1 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: ([C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: [C:2]) 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])' 81: [12:24:56] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5] 81: [12:24:56] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]' 81: [12:24:56] reactant 2 has no mapped atoms. 81: [12:24:56] >> Atoms within one molecule have different RXN roles. 81: [12:24:56] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: ([C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: [C:1][C:2]) 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])' 81: [12:24:56] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2] 81: [12:24:56] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]' 81: [12:24:56] reactant 0 has no mapped atoms. 81: [12:24:56] reactant 1 has no mapped atoms. 81: [12:24:56] reactant 3 has no mapped atoms. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 3 found multiple times. 81: [12:24:56] product atom-mapping number 4 found multiple times. 81: [12:24:56] product atom-mapping number 5 found multiple times. 81: [12:24:56] product atom-mapping number 6 found multiple times. 81: [12:24:56] product atom-mapping number 7 found multiple times. 81: [12:24:56] product atom-mapping number 8 found multiple times. 81: [12:24:56] product atom-mapping number 12 found multiple times. 81: [12:24:56] product atom-mapping number 9 found multiple times. 81: [12:24:56] product atom-mapping number 10 found multiple times. 81: [12:24:56] product atom-mapping number 11 found multiple times. 81: [12:24:56] reactant 0 has no mapped atoms. 81: [12:24:56] reactant 1 has no mapped atoms. 81: [12:24:56] reactant 3 has no mapped atoms. 81: [12:24:56] reactant atom-mapping number 19 found multiple times. 81: [12:24:56] reactant atom-mapping number 25 found multiple times. 81: [12:24:56] reactant atom-mapping number 20 found multiple times. 81: [12:24:56] reactant atom-mapping number 21 found multiple times. 81: [12:24:56] reactant atom-mapping number 22 found multiple times. 81: [12:24:56] reactant atom-mapping number 23 found multiple times. 81: [12:24:56] reactant atom-mapping number 24 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 81: [12:24:56] product atom-mapping number 5 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 3 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 4 found multiple times. 81: [12:24:56] product atom-mapping number 5 found multiple times. 81: [12:24:56] product atom-mapping number 2 found multiple times. 81: [12:24:56] product atom-mapping number 3 found multiple times. 81: [12:24:56] product atom-mapping number 1 found multiple times. 81: [12:24:56] product atom-mapping number 4 found multiple times. 81: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 81: [12:24:57] product atom-mapping number 5 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 5 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: F[C@](Cl)(Br)O[C@](F)(Cl)Br 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 4 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 4 81: [12:24:57] product atom-mapping number 3 found multiple times. 81: [12:24:57] product atom-mapping number 2 found multiple times. 81: [12:24:57] product atom-mapping number 1 found multiple times. 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 4 81: [12:24:57] product atom-mapping number 6 not found in reactants. 81: [12:24:57] product atom-mapping number 7 not found in reactants. 81: [12:24:57] product atom-mapping number 8 not found in reactants. 81: [12:24:57] product atom-mapping number 7 not found in reactants. 81: [12:24:57] product atom-mapping number 8 not found in reactants. 81: [12:24:57] product atom-mapping number 9 not found in reactants. 81: [12:24:57] product atom-mapping number 10 not found in reactants. 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 6 81: [12:24:57] product atom-mapping number 7 not found in reactants. 81: [12:24:57] product atom-mapping number 8 not found in reactants. 81: [12:24:57] product atom-mapping number 9 not found in reactants. 81: [12:24:57] product atom-mapping number 10 not found in reactants. 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 6 81: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 81: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6] 78: done 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test GitHub issue 15 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test GitHub issue 409 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test chiral matching 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test GitHub issue 688: partially specified chiral substructure queries don't work properly 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test dative-bond matching 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test cis/trans matching 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test cis/trans matching part 2 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 78: [12:24:57] done 78: [12:24:57] ------------------------------------- 78: [12:24:57] Testing matching E/Z against Cis/Trans stereo bonds 78: [12:24:57] 78: 78: **** 78: Pre-condition Violation 78: matches must not be empty 78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 78: Failed Expression: !matches.empty() 78: **** 78: 78: [12:24:57] 78: 78: **** 78: Pre-condition Violation 78: matches must not be empty 78: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp 78: Failed Expression: !matches.empty() 78: **** 78: 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test substructure matching with a pathological case for symmetric SSSR 78: [12:24:57] ------------------------------------- 78: [12:24:57] Test isAtomTerminalRGroupOrQueryHydrogen 70/222 Test #78: testSubstructMatch ..................... Passed 0.68 sec test 82 Start 82: testReactionFingerprints 82: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints 82: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 82: Test timeout computed to be: 1500 81: [12:24:57] product atom-mapping number 17 not found in reactants. 81: [12:24:57] product atom-mapping number 18 not found in reactants. 81: [12:24:57] mapped atoms in the reactants were not mapped in the products. 81: unmapped numbers are: 12 80: Randomness seeded to: 2544255916 80: =============================================================================== 80: All tests passed (9408 assertions in 38 test cases) 80: 71/222 Test #80: testGenericGroups ...................... Passed 0.65 sec test 83 Start 83: testEnumeration 83: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration 83: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 83: Test timeout computed to be: 1500 82: [12:24:57] ------------------------------------- 82: [12:24:57] Test Reaction StructuralFingerprint 25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 63: [12:24:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:24:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:24:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:24:57] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:24:57] deprecated group abbreviation ignored on line 24 63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 63: [12:24:57] 63: 63: **** 63: Post-condition Violation 63: Element 'Mv' not found 63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 63: Failed Expression: anum > -1 63: **** 63: 82: [12:24:57] ------------------------------------- 82: [12:24:57] Test Reaction DifferenceFingerprint 72/222 Test #82: testReactionFingerprints ............... Passed 0.13 sec test 84 Start 84: rxnTestCatch 84: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch 84: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions 84: Test timeout computed to be: 1500 81: [12:24:57] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 81: [12:24:57] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs) 81: 81: [12:24:57] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels 81: ------------- 81: CCOc1ccccc1 79: Randomness seeded to: 3184599815 79: =============================================================================== 79: All tests passed (143 assertions in 7 test cases) 79: 73/222 Test #79: substructTestCatch ..................... Passed 0.82 sec test 85 Start 85: pyChemReactions 85: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 85: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 85: Test timeout computed to be: 1500 25: All 191 tests passed 84: Randomness seeded to: 56677131 84: [12:24:57] atom 0 in product 0 has multiple charge specifications. 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 34 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 36 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 38 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 40 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 42 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 87 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 89 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 91 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 93 84: [12:24:57] Found a SCD/SED line with missing/empty SDT specification at line 95 84: [12:24:57] mapped atoms in the reactants were not mapped in the products. 84: unmapped numbers are: 2 84: [12:24:57] mapped atoms in the reactants were not mapped in the products. 84: unmapped numbers are: 2 84: [12:24:57] SMARTS Parse Error: unclosed ring for input: 'CC1' 84: [12:24:57] SMILES Parse Error: unclosed ring for input: 'CC1' 84: [12:24:57] mapped atoms in the reactants were not mapped in the products. 84: unmapped numbers are: 2 84: [12:24:57] product atom-mapping number 2 not found in reactants. 84: [12:24:57] mapped atoms in the reactants were not mapped in the products. 84: unmapped numbers are: 2 84: [12:24:57] product atom-mapping number 2 not found in reactants. 83: 30000000 30000000 84: [12:24:57] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 84: =============================================================================== 84: All tests passed (568 assertions in 20 test cases) 84: 81: [12:24:57] reactant 0 has no mapped atoms. 81: [12:24:57] product 0 has no mapped atoms. 81: [12:24:57] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product. 74/222 Test #84: rxnTestCatch ........................... Passed 0.28 sec test 86 Start 86: pyChemReactionEnumerations 86: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py" 86: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 86: Test timeout computed to be: 1500 75/222 Test #81: testReaction ........................... Passed 0.70 sec test 87 Start 87: pyChemReactionSanitize 87: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testSanitize.py" 87: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemReactions/Wrap 87: Test timeout computed to be: 1500 25: 25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 85: [12:24:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 85: [12:24:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 85: .[12:24:58] 85: 85: **** 85: Pre-condition Violation 85: getNumImplicitHs() called without preceding call to calcImplicitValence() 85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp 85: Failed Expression: d_implicitValence > -1 85: **** 85: 85: [12:24:58] 85: 85: **** 85: Pre-condition Violation 85: getNumImplicitHs() called without preceding call to calcImplicitValence() 85: Violation occurred on line 291 in file ./Code/GraphMol/Atom.cpp 85: Failed Expression: d_implicitValence > -1 85: **** 85: 85: .......[12:24:58] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 85: [12:24:58] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 85: [12:24:58] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 85: [12:24:58] stereo atoms in input cannot be mapped to output (atoms are no longer bonded) 85: .[12:24:58] product atom-mapping number 1 found multiple times. 85: [12:24:58] product atom-mapping number 1 found multiple times. 86: [12:24:58] == testCartesianProduct 85: ................[12:24:58] mapped atoms in the reactants were not mapped in the products. 85: unmapped numbers are: 3 85: [12:24:58] mapped atoms in the reactants were not mapped in the products. 85: unmapped numbers are: 3 85: .[12:24:58] mapped atoms in the reactants were not mapped in the products. 85: unmapped numbers are: 3 85: ..[12:24:58] reactant 2 has no mapped atoms. 85: [12:24:58] reactant 2 has no mapped atoms. 85: [12:24:58] product 1 has no mapped atoms. 85: ........[12:24:58] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q' 85: [12:24:58] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q' 85: .[12:24:58] reactant atom-mapping number 1 found multiple times. 85: [12:24:58] product atom-mapping number 2 not found in reactants. 85: [12:24:58] mapped atoms in the reactants were not mapped in the products. 85: unmapped numbers are: 4 85: [12:24:58] product atom-mapping number 5 not found in reactants. 86: .[12:24:58] == testEnumerateLibrary 86: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/enumeration.pickle'> 86: open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read()) 86: ResourceWarning: Enable tracemalloc to get the object allocation traceback 87: .[12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: .[12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: () 87: ******************************************** 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 [*:1] 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: M RGP 1 1 2 87: V 1 [*:2] 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 1 2 1 0 87: M RGP 2 1 1 2 2 87: V 1 [*:1] 87: V 2 [*:2] 87: M END 87: 87: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 [*:1] 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: M RGP 1 1 2 87: V 1 [*:2] 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 1 2 1 0 87: M RGP 2 1 1 2 2 87: V 1 [*:1] 87: V 2 [*:2] 87: M END 87: 87: ******************************************** 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 * 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: M RGP 1 1 2 87: V 1 * 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 87: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: M RGP 2 1 1 2 2 87: V 1 * 87: V 2 * 87: M END 87: 87: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 [*:1] 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: M RGP 1 1 2 87: V 1 [*:2] 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 1 2 1 0 87: M RGP 2 1 1 2 2 87: V 1 [*:1] 87: V 2 [*:2] 87: M END 87: 87: ******************************************** 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: V 1 halogen.bromine.aromatic 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 87: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: M END 87: 87: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 [*:1] 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: M RGP 1 1 2 87: V 1 [*:2] 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 11.9811 -6.9292 0.0000 R# 0 0 0 0 0 0 0 0 0 2 0 0 87: 1 2 1 0 87: M RGP 2 1 1 2 2 87: V 1 [*:1] 87: V 2 [*:2] 87: M END 87: 87: ******************************************** 87: [12:24:58] reactant 0 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] product 0 has no mapped atoms. 87: [12:24:58] Could not find RLabel mapping for atom: 0 in template: 1 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: [12:24:58] reactant 1 has no mapped atoms. 87: .. 87: ---------------------------------------------------------------------- 87: Ran 4 tests in 0.053s 87: 87: OK 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: V 1 halogen.bromine.aromatic 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R1 0 0 0 0 0 0 0 0 0 0 0 0 87: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: M END 87: 87: >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>> 87: $RXN 87: 87: RDKit 87: 87: 2 1 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 1 0 0 0 0 0 0999 V2000 87: -3.2730 -7.0542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 87: -3.9875 -7.4667 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 1 2 1 0 87: M RGP 1 2 1 87: V 1 halogen.bromine.aromatic 87: V 2 [*:1] 87: M STY 1 1 DAT 87: M SAL 1 1 1 87: M SED 1 [#35&$([Br&$(Br-&!@c)])] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 4 3 0 1 0 0 0 0 0 0999 V2000 87: 3.4375 -7.7917 0.0000 R3 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -7.3792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.1520 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 4.8664 -7.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 87: 2 3 1 0 87: 1 2 1 0 87: 2 4 1 0 87: V 2 boronicacid 87: M STY 1 1 DAT 87: M SAL 1 1 2 87: M SED 1 [#5&$([$(B-&!@[#6])](O)O)] 87: M END 87: $MOL 87: 87: RDKit 2D 87: 87: 2 1 0 0 0 0 0 0 0 0999 V2000 87: 11.2667 -7.3417 0.0000 R# 0 0 0 0 0 0 0 0 0 1 0 0 87: 11.9811 -6.9292 0.0000 R2 0 0 0 0 0 0 0 0 0 0 0 0 87: 1 2 1 0 87: M RGP 1 1 1 87: V 1 [*:1] 87: M END 87: 87: $RXN Failed 85: ........./build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'> 85: png = open(fname, 'rb').read() 85: ResourceWarning: Enable tracemalloc to get the object allocation traceback 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 34 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 36 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 38 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 40 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 42 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 87 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 89 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 91 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 93 85: [12:24:58] Found a SCD/SED line with missing/empty SDT specification at line 95 86: ..[12:24:58] == testRGroupState 85: ..[12:24:58] SMARTS Parse Error: syntax error while parsing: boromicacid 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 85: [12:24:58] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 85: [12:24:58] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 85: [12:24:58] reaction has no reactants 85: [12:24:58] reaction has no products 85: [12:24:58] initialization failed 85: [12:24:58] reaction has no reactants 85: [12:24:58] reaction has no products 86: .[12:24:58] == testRandomEnumerateAllBBsLibrary 86: ** [1, 1] 86: ** [0, 2] 86: ** [1, 0] 85: .[12:24:58] SMARTS Parse Error: syntax error while parsing: boromicacid 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 85: [12:24:58] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 85: [12:24:58] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 85: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 85: [12:24:58] reaction has no reactants 85: [12:24:58] reaction has no products 85: [12:24:58] initialization failed 85: [12:24:58] reaction has no reactants 85: [12:24:58] reaction has no products 85: . 85: ---------------------------------------------------------------------- 85: Ran 50 tests in 0.364s 85: 85: OK 85: ******************************************** 85: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/ChemReactions/testData/AmideBond.rxn 85: 86: .[12:24:58] == testRandomEnumerateLibrary 86: .[12:24:58] == testRandomSample 86: .[12:24:58] == testRandomSampleAllBBs 86: .[12:24:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 86: [12:24:58] deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead 86: .[12:24:58] == testRemoveBadMatches 86: .[12:24:58] == testTimings 76/222 Test #87: pyChemReactionSanitize ................. Passed 1.22 sec test 88 Start 88: testChemTransforms 88: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms 88: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms 88: Test timeout computed to be: 1500 88: 1 smi: CC 88: 1 smi: CC 88: 2 smi: CCO[C@H](N)P 88: 2 smi: CC 88: replaceSub smi1:CCP(CC)[C@@H](N)O 88: replaceSub smi1:CCNCC 88: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O 88: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O 77/222 Test #85: pyChemReactions ........................ Passed 1.56 sec test 89 Start 89: chemTransformsTestCatch 89: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch 89: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ChemTransforms 89: Test timeout computed to be: 1500 88: [12:24:58] SMARTS Parse Error: syntax error while parsing: bar 88: [12:24:58] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar' 78/222 Test #88: testChemTransforms ..................... Passed 0.14 sec test 90 Start 90: tautomerQueryTestCatch 90: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch 90: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery 90: Test timeout computed to be: 1500 89: Randomness seeded to: 3761095658 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] 89: 89: **** 89: Invariant Violation 89: molzip: bond info already exists for end atom with label:1 89: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: !bond.b 89: **** 89: 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] 89: 89: **** 89: Invariant Violation 89: molzip: bond info already exists for end atom with label:1 89: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: !bond.b 89: **** 89: 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] 89: 89: **** 89: Invariant Violation 89: molzip: bond info already exists for end atom with label:1 89: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: !bond.b 89: **** 89: 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] 89: 89: **** 89: Invariant Violation 89: molzip: bond info already exists for end atom with label:1 89: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: !bond.b 89: **** 89: 89: [12:24:58] Incomplete atom labelling, cannot make bond 89: [12:24:58] 89: 89: **** 89: Invariant Violation 89: molzip: bond info already exists for end atom with label:1 89: Violation occurred on line 999 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: !bond.b 89: **** 89: 89: [12:24:59] 89: 89: **** 89: Invariant Violation 89: molzip: zipped Bond already exists, perhaps labels are duplicated 89: Violation occurred on line 742 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp 89: Failed Expression: params.label == MolzipLabel::FragmentOnBonds || !a->getOwningMol().getBondBetweenAtoms(a->getIdx(), b->getIdx()) 89: **** 89: 89: =============================================================================== 89: All tests passed (667 assertions in 7 test cases) 89: 79/222 Test #89: chemTransformsTestCatch ................ Passed 0.18 sec test 91 Start 91: pyTautomerQuery 91: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/TautomerQuery/Wrap/rough_test.py" 91: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap 91: Test timeout computed to be: 1500 90: Randomness seeded to: 2102958059 90: =============================================================================== 90: All tests passed (93 assertions in 13 test cases) 90: 80/222 Test #90: tautomerQueryTestCatch ................. Passed 0.38 sec test 92 Start 92: testSubgraphs1 92: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1 92: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 92: Test timeout computed to be: 1500 92: ----------------------- 92: Subgraph retrieval 92: Finished 92: ----------------------- 92: testSubgraphs2a 92: Finished 92: ----------------------- 92: testSubgraphs2 92: Finished 92: ----------------------- 92: Path retrieval 92: Finished 92: ----------------------- 92: Path retrieval2 92: Finished 92: ----------------------- 92: Unique Subgraph retrieval 92: Finished 92: ----------------------- 92: testUniqueSubgraphs2 91: ..... 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 0.092s 91: 91: OK 92: Finished 92: ----------------------- 92: testRootedSubgraphs 92: Finished 92: ----------------------- 92: testRootedPaths 92: Finished 81/222 Test #92: testSubgraphs1 ......................... Passed 0.58 sec test 93 Start 93: testSubgraphs2 93: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2 93: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 93: Test timeout computed to be: 1500 93: ----------------------- 93: Test1: pathToSubmol 93: Finished 93: ----------------------- 93: Test2: Atom Environments 93: Finished 93: ----------------------- 93: Test 3: Atom Environments (Extension) 93: Finished 93: ----------------------- 93: Testing github Issue103: stereochemistry and pathToSubmol 93: Finished 93: ----------------------- 93: Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order) 93: Finished 82/222 Test #93: testSubgraphs2 ......................... Passed 0.07 sec test 94 Start 94: subgraphsCatch 94: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch 94: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Subgraphs 94: Test timeout computed to be: 1500 94: Randomness seeded to: 2431028721 94: --------- 94: =============================================================================== 94: All tests passed (11 assertions in 1 test case) 94: 83/222 Test #94: subgraphsCatch ......................... Passed 0.07 sec test 95 Start 95: filterCatalogTest 95: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest 95: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog 95: Test timeout computed to be: 1500 84/222 Test #91: pyTautomerQuery ........................ Passed 1.02 sec test 96 Start 96: pyFilterCatalog 96: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FilterCatalog/Wrap/rough_test.py" 96: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap 96: Test timeout computed to be: 1500 86: . 86: ---------------------------------------------------------------------- 86: Ran 11 tests in 1.758s 86: 86: OK 86: True 86: == CartesianProductStrategy CartesianProductStrategy 86: 197 out of 300 86: 0 6 out of 10 86: 1 3 out of 5 86: 2 4 out of 6 86: 198 out of 300 86: 0 10 out of 10 86: 1 5 out of 5 86: 2 6 out of 6 86: Skipped 10000000 in 0.08736729621887207 seconds 86: Skipped 10000000 in 0.7259366512298584 seconds 86: Skipped 10000000 in 0.36695361137390137 seconds 85/222 Test #37: hanoiTest .............................. Passed 6.57 sec test 97 Start 97: testFragCatalog 97: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog 97: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog 97: Test timeout computed to be: 1500 95: Warning: molecule failed filter 95: Warning: molecule failed filter: reason hzone_phenol_A(479) 95: v = { 95: 0,23}, 95: 1,22}, 95: 2,20}, 95: 3,19}, 95: 4,25}, 95: 5,24}, 95: 6,18}, 95: 7,17}, 95: 8,16}, 95: 9,21}, 95: } 95: match = { 95: 0,23}, 95: 1,22}, 95: 2,20}, 95: 3,19}, 95: 4,25}, 95: 5,24}, 95: 6,18}, 95: 7,17}, 95: 8,16}, 95: 9,21}, 95: } 95: Warning: molecule failed filter 95: Warning: molecule failed filter: reason cyano_imine_B(17) 95: v = { 95: 0,11}, 95: 1,12}, 95: 2,13}, 95: 3,14}, 95: 4,15}, 95: 5,10}, 95: 6,9}, 95: 7,8}, 95: 8,7}, 95: 9,6}, 95: 10,5}, 95: 11,17}, 95: 12,16}, 95: } 95: match = { 95: 0,11}, 95: 1,12}, 95: 2,13}, 95: 3,14}, 95: 4,15}, 95: 5,10}, 95: 6,9}, 95: 7,8}, 95: 8,7}, 95: 9,6}, 95: 10,5}, 95: 11,17}, 95: 12,16}, 95: } 95: Warning: molecule failed filter 95: Warning: molecule failed filter: reason keto_keto_gamma(5) 95: v = { 95: 0,0}, 95: 1,1}, 95: 2,2}, 95: 3,4}, 95: 4,5}, 95: 5,6}, 95: 6,7}, 95: 7,8}, 95: 8,9}, 95: 9,14}, 95: 10,15}, 95: 11,16}, 95: } 95: match = { 95: 0,0}, 95: 1,1}, 95: 2,2}, 95: 3,4}, 95: 4,5}, 95: 5,6}, 95: 6,7}, 95: 7,8}, 95: 8,9}, 95: 9,14}, 95: 10,15}, 95: 11,16}, 95: } 97: 21 86/222 Test #86: pyChemReactionEnumerations ............. Passed 2.90 sec test 98 Start 98: pyFragCatalog 98: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 98: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FragCatalog/Wrap 98: Test timeout computed to be: 1500 87/222 Test #95: filterCatalogTest ...................... Passed 0.56 sec test 99 Start 99: testDescriptors 99: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors 99: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 99: Test timeout computed to be: 1500 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Crippen parameter acquisition. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Crippen calculation. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Issue262: problems with Crippen calculation from pickles. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test AMW calculation. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Exact MW calculation. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Labute ASA descriptors. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test TPSA descriptors. 99: [12:25:00] done 99: [12:25:00] ------------------------------------- 99: [12:25:00] Test Lipinski parameters. 11: .................. 11: ---------------------------------------------------------------------- 11: Ran 18 tests in 7.762s 11: 11: OK 88/222 Test #11: pyBV ................................... Passed 8.52 sec test 100 Start 100: testAUTOCORR2D 100: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D 100: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 100: Test timeout computed to be: 1500 100: [12:25:00] ---------------------------- 100: start test autocorr2D 99: [12:25:01] done 99: [12:25:01] ------------------------------------- 99: [12:25:01] Test VSA descriptors. 99: [12:25:01] done 99: [12:25:01] ------------------------------------- 99: [12:25:01] Test molecular formula calculation. 99: [12:25:01] done 99: [12:25:01] ------------------------------------- 99: [12:25:01] Test Issue 3415534. 99: [12:25:01] done 99: [12:25:01] ------------------------------------- 99: [12:25:01] Test Issue3433771: Bad definition for Crippen atom type O11. 99: [12:25:01] done 99: [12:25:01] ------------------------------------- 99: [12:25:01] Test multithreading 99: reading molecules 89/222 Test #39: resMolSupplierTest ..................... Passed 7.43 sec test 101 Start 101: testATF 101: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testATF 101: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 101: Test timeout computed to be: 1500 99: processing 99: launch :0 99: launch :1 99: launch :2 99: launch :3 90/222 Test #101: testATF ................................ Passed 0.07 sec test 102 Start 102: testBCUT 102: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testBCUT 102: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 102: Test timeout computed to be: 1500 102: [12:25:01] ------------------------------------- 102: [12:25:01] Basic BCUT tests. 102: [12:25:01] done 102: [12:25:01] ------------------------------------- 102: [12:25:01] Larger BCUT tests. 100: [12:25:01] done 100: [12:25:01] ------------------------------------- 100: [12:25:01] Test Github #3806: NaNs from AUTOCORR2D descriptor 100: [12:25:01] done 91/222 Test #100: testAUTOCORR2D ......................... Passed 0.30 sec test 103 Start 103: testEEM 103: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testEEM 103: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 103: Test timeout computed to be: 1500 98: ......... 98: ---------------------------------------------------------------------- 98: Ran 9 tests in 0.162s 98: 98: OK 103: =>start test EEM 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: 0 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 97: [12:25:01] 97: 97: **** 97: Invariant Violation 97: nonsense 97: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 97: Failed Expression: token != tokens.end() 97: **** 97: 97: [12:25:01] 97: 97: **** 97: Invariant Violation 97: nonsense no new line 97: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 97: Failed Expression: token != tokens.end() 97: **** 97: 97: [12:25:01] 97: 97: **** 97: Invariant Violation 97: nonsense with tab 97: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp 97: Failed Expression: token != tokens.end() 97: **** 97: 92/222 Test #97: testFragCatalog ........................ Passed 1.27 sec test 104 Start 104: testPBF 104: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testPBF 104: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 104: Test timeout computed to be: 1500 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 104: [12:25:01] ------------------------------------- 104: [12:25:01] Basic PBF tests. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 93/222 Test #98: pyFragCatalog .......................... Passed 1.13 sec test 105 Start 105: testRDFcustom 105: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom 105: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 105: Test timeout computed to be: 1500 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 104: [12:25:01] done 104: [12:25:01] ------------------------------------- 104: [12:25:01] PBF edge cases. 104: [12:25:01] done 94/222 Test #104: testPBF ................................ Passed 0.26 sec test 106 Start 106: testRDF 106: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testRDF 106: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 106: Test timeout computed to be: 1500 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: 100 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: 200 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: 300 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 106: =>start test rdf 106: [12:25:02] test on : 365 molecules done 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 95/222 Test #106: testRDF ................................ Passed 0.88 sec test 107 Start 107: testMORSE 107: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testMORSE 107: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 107: Test timeout computed to be: 1500 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 105: =>start test rdf custom 105: [12:25:02] test on : 365 molecules done 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 102: [12:25:02] ------------------------------------- 102: [12:25:02] Test empty molecule BCUT. 96/222 Test #102: testBCUT ............................... Passed 1.48 sec test 108 Start 108: test3D 108: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/test3D 108: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 108: Test timeout computed to be: 1500 66: [12:25:02] Finished: testSmiCorrectness() 66: [12:25:02] ----------------------------------------- 66: 66: [12:25:02] 66: ----------------------------------------- 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: 400 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 108: [12:25:02] ------------------------------------- 108: [12:25:02] Basic PMI tests. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 66: [12:25:02] Spurious data before the first property will be ignored 66: [12:25:02] Property will be truncated after the first blank line 66: [12:25:02] Property will be truncated after the first blank line 66: [12:25:02] Property will be truncated after the first blank line 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 25: All 191 tests passed 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: [12:25:02] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 103: Elapsed time: 1.54565 s 103: Errors:0 103: [12:25:02] test on : 500 molecules done 97/222 Test #103: testEEM ................................ Passed 1.61 sec test 109 Start 109: testWHIM 109: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testWHIM 109: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 109: Test timeout computed to be: 1500 96: .............[12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 96: [12:25:02] SMILES Parse Error: syntax error while parsing: --- 96: [12:25:02] SMILES Parse Error: Failed parsing SMILES '---' for input: '---' 96: [12:25:02] dasfsadf 25: 25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] More PMI/NPR tests. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] Basic NPR tests. 96: .[12:25:03] SMILES Parse Error: syntax error while parsing: mydoghasfleas 96: [12:25:03] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas' 63: [12:25:03] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 63: [12:25:03] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 96: ....... 96: ---------------------------------------------------------------------- 96: Ran 21 tests in 2.434s 96: 96: OK 96: (Five aromatic carbons And (Not any of Five aromatic carbons)) 96: (Five aromatic carbons Or (Not any of Five aromatic carbons)) 96: (Not (Five aromatic carbons And (Not any of Five aromatic carbons))) 96: ******************************************** 96: Testing: PAINS_A 2 96: ******************************************** 96: Testing: PAINS_B 4 96: ******************************************** 96: Testing: PAINS_C 8 96: ******************************************** 96: Testing: PAINS 14 96: (Not FilterMatcher) 96: Bar 96: Count 1 96: ******************************************** 96: {'Cl,Br,I'} 96: 1 96: 2 96: running 63: ---------------------------------- 63: ---------------------------------- 63: [12:25:03] 63: 63: **** 63: Pre-condition Violation 63: rlabel out of range for MDL files 63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp 63: Failed Expression: rlabel >= 0 && rlabel < 100 63: **** 63: 63: [12:25:03] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] PMI edge cases. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] NPR edge cases. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] 3D descriptors. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] 3D descriptor edge cases. 108: [12:25:03] done 108: [12:25:03] ------------------------------------- 108: [12:25:03] Inertial shape factor. 108: [12:25:03] done 98/222 Test #108: test3D ................................. Passed 0.85 sec test 110 Start 110: testGETAWAY 110: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY 110: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 110: Test timeout computed to be: 1500 66: [12:25:03] Finished: testSDCorrectness() 66: [12:25:03] ----------------------------------------- 66: 99/222 Test #66: testMultithreadedMolSupplier ........... Passed 8.22 sec test 111 Start 111: testAUTOCORR3D 111: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D 111: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 111: Test timeout computed to be: 1500 100/222 Test #96: pyFilterCatalog ........................ Passed 3.68 sec test 112 Start 112: testCoulombMat 112: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat 112: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 112: Test timeout computed to be: 1500 109: =>start test WHIM 109: [12:25:03] test on : 365 molecules done 101/222 Test #109: testWHIM ............................... Passed 0.85 sec test 113 Start 113: descriptorsTestCatch 113: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch 113: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors 113: Test timeout computed to be: 1500 112: ===================== Testing CoulombMat ======================= 112: CM test 1 mat Done 102/222 Test #112: testCoulombMat ......................... Passed 0.09 sec test 114 Start 114: pyMolDescriptors 114: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 114: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap 114: Test timeout computed to be: 1500 113: Randomness seeded to: 2321987437 113: =============================================================================== 113: All tests passed (482 assertions in 7 test cases) 113: 103/222 Test #113: descriptorsTestCatch ................... Passed 0.12 sec test 115 Start 115: pyMolDescriptors3D 115: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Descriptors/Wrap/test3D.py" 115: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Descriptors/Wrap 115: Test timeout computed to be: 1500 105: =>start test morse custom 105: [12:25:03] test on : 365 molecules done 63: [12:25:04] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 63: [12:25:04] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 107: =>start test MORSE 107: =>read file 107: [12:25:04] test on : 365 molecules done 104/222 Test #107: testMORSE .............................. Passed 1.63 sec test 116 Start 116: testFingerprints 116: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints 116: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 116: Test timeout computed to be: 1500 63: [12:25:04] Empty atom list: 'M ALS 1 0 F' on line 8. 63: de_DE.UTF-8 63: [12:25:04] ------------------------------------- 63: [12:25:04] Test multithreading Locale Switching 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: Atoms: 116: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 1 conj?: 1 aromatic?: 0 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 1 conj?: 1 aromatic?: 0 116: 9 8->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->1 order: 12 conj?: 1 aromatic?: 1 116: 11 7->3 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: SMI: Oc1cc2[nH]cnc2c(O)n1 116: Atoms: 116: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 1 conj?: 1 aromatic?: 0 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 1 conj?: 1 aromatic?: 0 116: 9 8->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->1 order: 12 conj?: 1 aromatic?: 1 116: 11 7->3 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c1(O)cc2[nH]cnc2c(O)n1 116: Atoms: 116: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 1 conj?: 1 aromatic?: 0 116: 1 0->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 1 conj?: 1 aromatic?: 0 116: 9 8->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->0 order: 12 conj?: 1 aromatic?: 1 116: 11 7->3 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c1c(O)nc(O)c2c1[nH]cn2 116: Atoms: 116: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 1 conj?: 1 aromatic?: 0 116: 2 1->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 1 conj?: 1 aromatic?: 0 116: 5 4->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 7->0 order: 12 conj?: 1 aromatic?: 1 116: 11 10->6 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c12cc(O)nc(O)c1nc[nH]2 116: Atoms: 116: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 1 conj?: 1 aromatic?: 0 116: 3 2->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 1 conj?: 1 aromatic?: 0 116: 6 5->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 7->0 order: 12 conj?: 1 aromatic?: 1 116: 11 10->0 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: [nH]1c2cc(O)nc(O)c2nc1 116: Atoms: 116: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 1 conj?: 1 aromatic?: 0 116: 4 3->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 1 conj?: 1 aromatic?: 0 116: 7 6->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->0 order: 12 conj?: 1 aromatic?: 1 116: 11 8->1 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c1[nH]c2cc(O)nc(O)c2n1 116: Atoms: 116: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 1 conj?: 1 aromatic?: 0 116: 5 4->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 1 conj?: 1 aromatic?: 0 116: 8 7->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->0 order: 12 conj?: 1 aromatic?: 1 116: 11 9->2 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: n1c[nH]c2cc(O)nc(O)c21 116: Atoms: 116: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 1 conj?: 1 aromatic?: 0 116: 6 5->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 1 conj?: 1 aromatic?: 0 116: 9 8->10 order: 12 conj?: 1 aromatic?: 1 116: 10 10->0 order: 12 conj?: 1 aromatic?: 1 116: 11 10->3 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c12c(cc(O)nc1O)[nH]cn2 116: Atoms: 116: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 1 conj?: 1 aromatic?: 0 116: 4 3->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 1 conj?: 1 aromatic?: 0 116: 7 1->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 6->0 order: 12 conj?: 1 aromatic?: 1 116: 11 10->0 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 116: Atoms: 116: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 1 conj?: 1 aromatic?: 0 116: 1 0->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 1 conj?: 1 aromatic?: 0 116: 6 5->7 order: 12 conj?: 1 aromatic?: 1 116: 7 3->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 7->0 order: 12 conj?: 1 aromatic?: 1 116: 11 10->2 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: Oc1c2c(cc(O)n1)[nH]cn2 116: Atoms: 116: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: Bonds: 116: 0 0->1 order: 1 conj?: 1 aromatic?: 0 116: 1 1->2 order: 12 conj?: 1 aromatic?: 1 116: 2 2->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 1 conj?: 1 aromatic?: 0 116: 6 5->7 order: 12 conj?: 1 aromatic?: 1 116: 7 3->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 12 conj?: 1 aromatic?: 1 116: 10 7->1 order: 12 conj?: 1 aromatic?: 1 116: 11 10->2 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: SMI: n1c(O)cc2[nH]cnc2c1O 116: Atoms: 116: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 116: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 63: [12:25:04] Test multithreading (Done) 63: [12:25:04] ------------------------------------- 63: *************************************** 63: *************************************** 116: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 116: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 116: Bonds: 116: 0 0->1 order: 12 conj?: 1 aromatic?: 1 116: 1 1->2 order: 1 conj?: 1 aromatic?: 0 116: 2 1->3 order: 12 conj?: 1 aromatic?: 1 116: 3 3->4 order: 12 conj?: 1 aromatic?: 1 116: 4 4->5 order: 12 conj?: 1 aromatic?: 1 116: 5 5->6 order: 12 conj?: 1 aromatic?: 1 116: 6 6->7 order: 12 conj?: 1 aromatic?: 1 116: 7 7->8 order: 12 conj?: 1 aromatic?: 1 116: 8 8->9 order: 12 conj?: 1 aromatic?: 1 116: 9 9->10 order: 1 conj?: 1 aromatic?: 0 116: 10 9->0 order: 12 conj?: 1 aromatic?: 1 116: 11 8->4 order: 12 conj?: 1 aromatic?: 1 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 116: 116: 116: 116: 116: 116: 116: 116: 116: ------------------- 116: 63: [12:25:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 63: [12:25:04] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Morgan Fingerprints. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Morgan Fingerprints using fromAtoms argument. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Morgan Fingerprints as bit vects. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Morgan Fingerprints with feature invariants. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test additional Morgan fingerprints options. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Atom Codes. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Atom Pairs. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Atom Pairs part 2. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Topological Torsions. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Bulk Topological Torsions. 63: [12:25:04] bond with order 0 found on line 7. This is not part of the MDL specification. 63: [12:25:04] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7) 63: [12:25:04] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7) 63: [12:25:04] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 63: generating smiles 63: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 63: converting back 63: check isomorphism 111: =>start test autocorr3D 111: [12:25:04] test on : 365 molecules done 105/222 Test #111: testAUTOCORR3D ......................... Passed 0.74 sec test 117 Start 117: testMHFPFingerprint 117: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint 117: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 117: Test timeout computed to be: 1500 117: [12:25:04] ------------------------------------- 117: [12:25:04] Test MHFP fingerprint encoder initialization 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Hashed Atom Pairs. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Hashed torsions. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Rooted Atom Pairs. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test ignoring atoms in Atom Pairs. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Rooted Topological Torsions. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test ignoring atoms in Topological Torsions. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test atom info from morgan fingerprints. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test atom info from morgan fingerprints including Info Redundant Environments. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] ------------------------------------- 116: [12:25:04] ------------------------------------- 117: [12:25:04] done 117: [12:25:04] ------------------------------------- 117: [12:25:04] Test MHFP shingling creation 116: [12:25:04] ------------------------------------- 116: [12:25:04] ------------------------------------- 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Atom Pairs including info about chirality. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test Topological Torsions including info about chirality. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test GitHub Issue 25: fingerprint backwards compatibility. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test GitHub Issue 151: PatternFingerprint problems 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test 3D atom pairs. 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 116: [12:25:04] done 116: [12:25:04] ------------------------------------- 116: [12:25:04] Test multithreading with the pattern FP 116: reading molecules 105: =>start test AUTOCORR3D custom 105: [12:25:04] test on : 365 molecules done 117: [12:25:04] done 117: [12:25:04] ------------------------------------- 117: [12:25:04] Test MHFP hashing of string and uint arrays 117: [12:25:04] done 117: [12:25:04] ------------------------------------- 117: [12:25:04] Test SECFP fingerprint functionality 117: [12:25:04] done 106/222 Test #117: testMHFPFingerprint .................... Passed 0.17 sec test 118 Start 118: testFingerprintGenerators 118: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators 118: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 118: Test timeout computed to be: 1500 116: pass 1 116: launch :0 116: launch :1 116: launch :2 116: launch :3 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test atom-pair fp generator 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test atom-pair fp generator with different arguments 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test atom-pair additional output 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Folded Atom Pairs. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Rooted Atom Pairs. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test ignoring atoms in Atom Pairs. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Atom Pairs including info about chirality. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Morgan Fingerprints. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test morgan fp generator 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Morgan Fingerprints using fromAtoms argument. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Morgan Fingerprints as bit vects. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test Morgan Fingerprints with feature invariants. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test additional Morgan fingerprints options. 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Single atoms setting radius 1 bits in Morgan fingerprints 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test different invariant generator combinations 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test invariant overriding 118: [12:25:04] done 118: [12:25:04] ------------------------------------- 118: [12:25:04] Test RDKit fp generator 114: .....[12:25:04] 114: 114: **** 114: Pre-condition Violation 114: Number of atom props not equal to number of atoms 114: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp 114: Failed Expression: atom_props.size() == num_atoms 114: **** 114: 114: ......................... 114: ---------------------------------------------------------------------- 114: Ran 30 tests in 0.114s 114: 114: OK 114: exactmw 78.046950192 114: amw 78.11399999999999 114: lipinskiHBA 0.0 114: lipinskiHBD 0.0 114: NumRotatableBonds 0.0 114: NumHBD 0.0 114: NumHBA 0.0 114: NumHeavyAtoms 6.0 114: NumAtoms 6.0 114: NumHeteroatoms 0.0 114: NumAmideBonds 0.0 114: FractionCSP3 0.0 114: NumRings 1.0 114: NumAromaticRings 1.0 114: NumAliphaticRings 0.0 114: NumSaturatedRings 0.0 114: NumHeterocycles 0.0 114: NumAromaticHeterocycles 0.0 114: NumSaturatedHeterocycles 0.0 114: NumAliphaticHeterocycles 0.0 114: NumSpiroAtoms 0.0 114: NumBridgeheadAtoms 0.0 114: NumAtomStereoCenters 0.0 114: NumUnspecifiedAtomStereoCenters 0.0 114: labuteASA 37.43140311949697 114: tpsa 0.0 114: CrippenClogP 1.6866 114: CrippenMR 26.441999999999993 114: chi0v 3.464101615137755 114: chi1v 2.0000000000000004 114: chi2v 0.6666666666666671 114: chi3v 0.6666666666666671 114: chi4v 0.38490017945975075 114: chi0n 3.464101615137755 114: chi1n 2.0000000000000004 114: chi2n 0.6666666666666671 114: chi3n 0.6666666666666671 114: chi4n 0.38490017945975075 114: hallKierAlpha -0.78 114: kappa1 3.4115708812260532 114: kappa2 1.6057694396735218 114: kappa3 0.5823992601400448 114: Phi 0.9130327103921437 114: exactmw 78.046950192 114: lipinskiHBA 0.0 115: ........ 115: ---------------------------------------------------------------------- 115: Ran 8 tests in 0.367s 115: 115: OK 116: pass 2 116: launch :0 116: launch :1 116: launch :2 116: launch :3 105: =>start test 2 WHIM custom 105: [12:25:05] test on : 365 molecules done 107/222 Test #114: pyMolDescriptors ....................... Passed 1.45 sec test 119 Start 119: fpTestCatch 119: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch 119: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 119: Test timeout computed to be: 1500 108/222 Test #115: pyMolDescriptors3D ..................... Passed 1.44 sec test 120 Start 120: fpGenTestCatch 120: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch 120: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints 120: Test timeout computed to be: 1500 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Issue252: Bad definitions for Crippen atom types. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of ChiVs. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of ChiNs. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of HallKierAlpha. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of Kappa1. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of Kappa2. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of Kappa3. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Crippen atom type calculations. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test ring descriptors 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test other count descriptors. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test MQN 119: Randomness seeded to: 3715877117 119: =============================================================================== 119: All tests passed (166 assertions in 14 test cases) 119: 109/222 Test #119: fpTestCatch ............................ Passed 0.09 sec test 121 Start 121: pyTestGenerator 121: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testGenerators.py" 121: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 121: Test timeout computed to be: 1500 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test GitHub Issue 56. 99: [12:25:05] WARNING: not removing hydrogen atom without neighbors 99: [12:25:05] WARNING: not removing hydrogen atom without neighbors 99: [12:25:05] WARNING: not removing hydrogen atom without neighbors 99: [12:25:05] WARNING: not removing hydrogen atom without neighbors 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github92: Bad Crippen atom type for pyrrole H. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github362: order dependence in Kier-Hall descriptors. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test calculation of spiro and bridgehead counts. 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github694: ExactMolWt ignoring the mass of the electron 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Testing Properties and KitchenSink 99: [12:25:05] ---Caught keyerror (bad property name)--- 99: [12:25:05] ---Caught stereo value error--- 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test USR Descriptor 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github #1973: support P and S terms for TPSA calculation 99: [12:25:05] done 99: [12:25:05] ------------------------------------- 99: [12:25:05] Test Github #2948: Empty molecule has non-zero LabuteASA 99: [12:25:05] done 110/222 Test #99: testDescriptors ........................ Passed 4.80 sec test 122 Start 122: pyTestMHFP 122: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Fingerprints/Wrap/testMHFP.py" 122: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Fingerprints/Wrap 122: Test timeout computed to be: 1500 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test unfolded version of RDKFP 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test topological torsion fp generator 120: Randomness seeded to: 1457324359 120: =============================================================================== 120: All tests passed (2678 assertions in 4 test cases) 120: 111/222 Test #120: fpGenTestCatch ......................... Passed 0.27 sec test 123 Start 123: testPartialCharges 123: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges 123: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges 123: Test timeout computed to be: 1500 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test Topological Torsions. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test Folded torsions. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test Bulk Topological Torsions. 112/222 Test #123: testPartialCharges ..................... Passed 0.07 sec test 124 Start 124: pyPartialCharges 124: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 124: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/PartialCharges/Wrap 124: Test timeout computed to be: 1500 105: =>start test 1 WHIM custom 105: [12:25:05] test on : 365 molecules done 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test Rooted Topological Torsions. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test ignoring atoms in Topological Torsions. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test Topological Torsions including info about chirality. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test GitHub Issue 25: fingerprint backwards compatibility. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 118: [12:25:05] done 118: [12:25:05] ------------------------------------- 118: [12:25:05] Test convenience and bulk fp calculation functions 122: .. 122: ---------------------------------------------------------------------- 122: Ran 2 tests in 0.039s 122: 122: OK 113/222 Test #122: pyTestMHFP ............................. Passed 0.70 sec test 125 Start 125: testMolTransforms 125: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms 125: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms 125: Test timeout computed to be: 1500 125: *********************************************************** 125: Testing MolTransforms 125: --------------------------------- 125: test1Canonicalization 125: 125: --------------------------------- 125: testGetSetBondLength 125: 125: --------------------------------- 125: testGetSetAngle 125: 125: --------------------------------- 125: testGetSetDihedral 125: 125: --------------------------------- 125: testGetSetDihedralThroughTripleBond 125: 125: --------------------------------- 125: testGithub1262: PMI descriptors incorrect 125: 125: --------------------------------- 125: testGithub1908: CanonicalizeMol() distorting bond lengths 125: 125: --------------------------------- 125: testGithub4302: native computeCanonicalTransform() generates non-canonical coords 125: 125: --------------------------------- 125: testWeightedCentroid 125: 125: *********************************************************** 114/222 Test #125: testMolTransforms ...................... Passed 0.13 sec test 126 Start 126: pyMolTransforms 126: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 126: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolTransforms/Wrap 126: Test timeout computed to be: 1500 63: [12:25:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:25:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:25:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:25:06] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored 63: [12:25:06] deprecated group abbreviation ignored on line 24 63: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 63: [12:25:06] 63: 63: **** 63: Post-condition Violation 63: Element 'Mv' not found 63: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h 63: Failed Expression: anum > -1 63: **** 63: 121: ............. 121: ---------------------------------------------------------------------- 121: Ran 13 tests in 0.250s 121: 121: OK 124: ....... 124: ---------------------------------------------------------------------- 124: Ran 7 tests in 0.147s 124: 124: OK 115/222 Test #124: pyPartialCharges ....................... Passed 0.93 sec test 127 Start 127: testMMFFForceFieldHelpers 127: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 127: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 127: Test timeout computed to be: 1500 118: [12:25:06] done 118: [12:25:06] ------------------------------------- 118: [12:25:06] Test GitHub Issue #6958 127: [12:25:06] ------------------------------------- 127: [12:25:06] Test MMFF atom types. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing MMFF builder tools. 116/222 Test #118: testFingerprintGenerators .............. Passed 1.98 sec test 128 Start 128: testMMFFForceFieldHelpersMultiThread 128: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread 128: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF 128: Test timeout computed to be: 1500 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing MMFF builder+minimization. 117/222 Test #121: pyTestGenerator ........................ Passed 1.27 sec test 129 Start 129: testUFFForceFieldHelpers 129: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 129: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF 129: Test timeout computed to be: 1500 128: [12:25:06] ------------------------------------- 128: [12:25:06] Test MMFF multithreading 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing Issue239. 129: [12:25:06] ------------------------------------- 129: [12:25:06] Test UFF atom labels. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Test UFF atom typer. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing UFF builder tools. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing UFF builder+minimization. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing calcEnergy with passed coords. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing calcGrad. 128: processing 128: launch :0 128: launch :1 128: launch :2 128: launch :3 128: launch :4 128: launch :5 128: launch :6 128: launch :7 128: launch :8 128: launch :9 128: launch :10 128: launch :11 128: launch :12 128: launch :13 128: launch :14 128: launch :15 128: launch :16 128: launch :17 128: launch :18 128: launch :19 128: launch :20 128: launch :21 128: launch :22 128: launch :23 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing Issue242. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing github 308: crash during MMFF parameterization . 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing SFIssue1653802. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Testing SFIssue2378119. 127: [12:25:06] done 127: [12:25:06] ------------------------------------- 127: [12:25:06] Test MMFF force-field parameter getters. 127: [12:25:06] ------------------------------------- 127: [12:25:06] Test MMFF multithreading 127: generating reference data 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing UFF special cases. 129: [12:25:06] UFFTYPER: Unrecognized charge state for atom: 0 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing Issue239. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing calcEnergy with passed coords. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing calcGrad. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing SFIssue1653802. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing SFIssue2378119. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Test UFF force-field parameter getters. 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing handling missing parameters. 129: [12:25:06] UFFTYPER: Unrecognized hybridization for atom: 0 129: [12:25:06] UFFTYPER: Unrecognized atom type: Cu+1 (0) 129: [12:25:06] UFFTYPER: Unrecognized hybridization for atom: 0 129: [12:25:06] UFFTYPER: Unrecognized atom type: Cu+1 (0) 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Testing SFIssue3009337. 129: [12:25:06] done 129: [12:25:06] ------------------------------------- 129: [12:25:06] Test UFF multithreading 129: generating reference data 128: done 128: [12:25:07] done 126: ........ 126: ---------------------------------------------------------------------- 126: Ran 8 tests in 0.091s 126: 126: OK 118/222 Test #128: testMMFFForceFieldHelpersMultiThread ... Passed 0.60 sec test 130 Start 130: testCrystalForceField 130: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField 130: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF 130: Test timeout computed to be: 1500 130: ------------------------------------- 130: Test CrystalFF torsional term. 110: =>start test GETAWAY 110: [12:25:07] test on : 365 molecules done 119/222 Test #110: testGETAWAY ............................ Passed 3.80 sec test 131 Start 131: pyForceFieldHelpers 131: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 131: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap 131: Test timeout computed to be: 1500 120/222 Test #130: testCrystalForceField .................. Passed 0.19 sec test 132 Start 132: testDistGeomHelpers 132: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers 132: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers 132: Test timeout computed to be: 1500 127: processing 127: launch :0 127: launch :1 127: launch :2 127: launch :3 127: [12:25:07] Rep: 0 Mol:3 121/222 Test #126: pyMolTransforms ........................ Passed 1.21 sec test 133 Start 133: distGeomHelpersCatch 133: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch 133: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers 133: Test timeout computed to be: 1500 127: [12:25:07] Rep: 0 Mol:1 127: [12:25:07] Rep: 0 Mol:5 127: [12:25:07] Rep: 0 Mol:0 127: [12:25:07] Rep: 0 Mol:2 127: [12:25:07] Rep: 0 Mol:9 127: [12:25:07] Rep: 0 Mol:4 127: [12:25:07] Rep: 0 Mol:13 132: go 132: ------------------------------------- 132: 127: [12:25:07] Rep: 0 Mol:17 133: Randomness seeded to: 3994274969 127: [12:25:07] Rep: 0 Mol:6 127: [12:25:07] Rep: 0 Mol:10 127: [12:25:07] Rep: 0 Mol:8 127: [12:25:07] Rep: 0 Mol:7 127: [12:25:07] Rep: 0 Mol:12 127: [12:25:07] Rep: 0 Mol:11 127: [12:25:07] Rep: 0 Mol:15 127: [12:25:07] Rep: 0 Mol:16 127: [12:25:07] Rep: 0 Mol:19 127: [12:25:07] Rep: 0 Mol:21 127: [12:25:07] Rep: 0 Mol:20 133: [12:25:07] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 133: [12:25:07] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 127: [12:25:07] Rep: 0 Mol:23 127: [12:25:07] Rep: 0 Mol:25 127: [12:25:07] Rep: 0 Mol:24 127: [12:25:07] Rep: 0 Mol:27 127: [12:25:07] Rep: 0 Mol:31 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 133: [12:25:07] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 127: [12:25:07] Rep: 0 Mol:29 129: processing 129: launch :0 129: launch :1 129: launch :2 129: launch :3 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 133: [12:25:07] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 127: [12:25:07] Rep: 0 Mol:28 129: [12:25:07] Rep: 0 Mol:1 129: [12:25:07] Rep: 0 Mol:5 129: [12:25:07] Rep: 0 Mol:9 129: [12:25:07] Rep: 0 Mol:3 133: ----------- 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 133: [12:25:07] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 129: [12:25:07] Rep: 0 Mol:0 129: [12:25:07] Rep: 0 Mol:2 129: [12:25:07] Rep: 0 Mol:13 129: [12:25:07] Rep: 0 Mol:4 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 133: ----------- 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 127: [12:25:07] Rep: 0 Mol:14 129: [12:25:07] Rep: 0 Mol:17 133: [12:25:07] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 133: ----------- 129: [12:25:07] Rep: 0 Mol:7 129: [12:25:07] Rep: 0 Mol:11 129: [12:25:07] Rep: 0 Mol:15 133: ----------- 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 133: [12:25:07] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 129: [12:25:07] Rep: 0 Mol:6 129: [12:25:07] Rep: 0 Mol:10 127: [12:25:07] Rep: 0 Mol:18 129: [12:25:07] Rep: 0 Mol:8 129: [12:25:07] Rep: 0 Mol:21 129: [12:25:07] Rep: 0 Mol:19 129: [12:25:07] Rep: 0 Mol:23 129: [12:25:07] Rep: 0 Mol:27 127: [12:25:07] Rep: 0 Mol:22 129: [12:25:07] Rep: 0 Mol:12 129: [12:25:07] Rep: 0 Mol:25 129: [12:25:07] Rep: 0 Mol:16 129: [12:25:07] Rep: 0 Mol:31 129: [12:25:07] Rep: 0 Mol:20 129: [12:25:07] Rep: 0 Mol:29 129: [12:25:07] Rep: 0 Mol:14 127: [12:25:07] Rep: 0 Mol:26 129: [12:25:07] Rep: 0 Mol:24 129: [12:25:07] Rep: 0 Mol:28 129: [12:25:07] Rep: 0 Mol:18 127: [12:25:07] Rep: 0 Mol:30 129: [12:25:07] Rep: 0 Mol:22 129: [12:25:07] Rep: 0 Mol:26 129: [12:25:07] Rep: 0 Mol:30 127: [12:25:07] Rep: 20 Mol:3 127: [12:25:07] Rep: 20 Mol:7 127: [12:25:07] Rep: 20 Mol:11 127: [12:25:07] Rep: 20 Mol:15 127: [12:25:07] Rep: 20 Mol:19 127: [12:25:07] Rep: 20 Mol:23 127: [12:25:07] Rep: 20 Mol:27 133: [12:25:07] UFFTYPER: Unrecognized atom type: Pt5+2 (1) 133: [12:25:07] UFFTYPER: Unrecognized atom type: N_5 (2) 133: [12:25:07] UFFTYPER: Unrecognized atom type: N_5 (3) 133: [12:25:07] UFFTYPER: Unrecognized atom type: N_5 (2) 133: [12:25:07] UFFTYPER: Unrecognized atom type: N_5 (3) 127: [12:25:07] Rep: 20 Mol:31 133: [12:25:07] UFFTYPER: Unrecognized charge state for atom: 1 133: [12:25:07] UFFTYPER: Unrecognized charge state for atom: 1 127: [12:25:07] Rep: 20 Mol:1 127: [12:25:07] Rep: 20 Mol:5 127: [12:25:07] Rep: 20 Mol:9 127: [12:25:07] Rep: 20 Mol:13 127: [12:25:07] Rep: 20 Mol:17 127: [12:25:07] Rep: 20 Mol:21 127: [12:25:07] Rep: 20 Mol:25 127: [12:25:07] Rep: 20 Mol:29 127: [12:25:07] Rep: 20 Mol:0 127: [12:25:07] Rep: 20 Mol:4 127: [12:25:07] Rep: 20 Mol:8 127: [12:25:07] Rep: 20 Mol:12 127: [12:25:07] Rep: 20 Mol:16 127: [12:25:07] Rep: 20 Mol:20 127: [12:25:07] Rep: 20 Mol:24 127: [12:25:07] Rep: 20 Mol:28 133: [12:25:07] UFFTYPER: Unrecognized charge state for atom: 1 127: [12:25:08] Rep: 40 Mol:3 127: [12:25:08] Rep: 40 Mol:7 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 5 127: [12:25:08] Rep: 40 Mol:11 127: [12:25:08] Rep: 40 Mol:15 127: [12:25:08] Rep: 40 Mol:19 127: [12:25:08] Rep: 40 Mol:23 127: [12:25:08] Rep: 40 Mol:27 127: [12:25:08] Rep: 40 Mol:31 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 5 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 5 127: [12:25:08] Rep: 40 Mol:0 127: [12:25:08] Rep: 40 Mol:4 127: [12:25:08] Rep: 40 Mol:8 127: [12:25:08] Rep: 40 Mol:12 127: [12:25:08] Rep: 40 Mol:16 127: [12:25:08] Rep: 40 Mol:20 127: [12:25:08] Rep: 40 Mol:24 127: [12:25:08] Rep: 40 Mol:28 127: [12:25:08] Rep: 40 Mol:1 127: [12:25:08] Rep: 40 Mol:5 127: [12:25:08] Rep: 40 Mol:9 127: [12:25:08] Rep: 40 Mol:13 127: [12:25:08] Rep: 40 Mol:17 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 127: [12:25:08] Rep: 40 Mol:21 127: [12:25:08] Rep: 40 Mol:25 127: [12:25:08] Rep: 40 Mol:29 127: [12:25:08] Rep: 20 Mol:2 127: [12:25:08] Rep: 20 Mol:6 127: [12:25:08] Rep: 20 Mol:10 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: ..[12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 6 127: [12:25:08] Rep: 20 Mol:14 127: [12:25:08] Rep: 20 Mol:18 127: [12:25:08] Rep: 20 Mol:22 127: [12:25:08] Rep: 20 Mol:26 127: [12:25:08] Rep: 20 Mol:30 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 6 133: [12:25:08] UFFTYPER: Unrecognized charge state for atom: 6 127: [12:25:08] Rep: 60 Mol:3 127: [12:25:08] Rep: 60 Mol:7 127: [12:25:08] Rep: 60 Mol:11 127: [12:25:08] Rep: 60 Mol:15 127: [12:25:08] Rep: 60 Mol:19 127: [12:25:08] Rep: 60 Mol:23 127: [12:25:08] Rep: 60 Mol:27 127: [12:25:08] Rep: 60 Mol:31 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 129: [12:25:08] Rep: 100 Mol:3 129: [12:25:08] Rep: 100 Mol:7 129: [12:25:08] Rep: 100 Mol:11 129: [12:25:08] Rep: 100 Mol:15 129: [12:25:08] Rep: 100 Mol:19 129: [12:25:08] Rep: 100 Mol:23 129: [12:25:08] Rep: 100 Mol:27 129: [12:25:08] Rep: 100 Mol:31 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] UFFTYPER: Unrecognized hybridization for atom: 0 131: [12:25:08] UFFTYPER: Unrecognized atom type: Cu+1 (0) 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: .[12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: ..[12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 127: [12:25:08] Rep: 60 Mol:0 127: [12:25:08] Rep: 60 Mol:4 127: [12:25:08] Rep: 60 Mol:8 127: [12:25:08] Rep: 60 Mol:12 127: [12:25:08] Rep: 60 Mol:16 127: [12:25:08] Rep: 60 Mol:20 127: [12:25:08] Rep: 60 Mol:24 127: [12:25:08] Rep: 60 Mol:28 131: [12:25:08] Molecule does not have explicit Hs. Consider calling AddHs() 127: [12:25:08] Rep: 80 Mol:3 127: [12:25:08] Rep: 80 Mol:7 127: [12:25:08] Rep: 80 Mol:11 127: [12:25:08] Rep: 80 Mol:15 127: [12:25:08] Rep: 80 Mol:19 127: [12:25:08] Rep: 80 Mol:23 127: [12:25:08] Rep: 80 Mol:27 127: [12:25:08] Rep: 80 Mol:31 127: [12:25:08] Rep: 60 Mol:1 127: [12:25:08] Rep: 60 Mol:5 127: [12:25:08] Rep: 60 Mol:9 127: [12:25:08] Rep: 60 Mol:13 127: [12:25:08] Rep: 60 Mol:17 127: [12:25:08] Rep: 60 Mol:21 127: [12:25:08] Rep: 60 Mol:25 127: [12:25:08] Rep: 60 Mol:29 129: [12:25:08] Rep: 100 Mol:1 129: [12:25:08] Rep: 100 Mol:5 129: [12:25:08] Rep: 100 Mol:9 129: [12:25:08] Rep: 100 Mol:13 129: [12:25:08] Rep: 100 Mol:17 129: [12:25:08] Rep: 100 Mol:21 129: [12:25:08] Rep: 100 Mol:25 129: [12:25:08] Rep: 100 Mol:29 129: [12:25:08] Rep: 100 Mol:0 129: [12:25:08] Rep: 100 Mol:4 129: [12:25:08] Rep: 100 Mol:8 129: [12:25:08] Rep: 100 Mol:12 129: [12:25:08] Rep: 100 Mol:16 131: ... 131: ---------------------------------------------------------------------- 131: Ran 18 tests in 0.400s 131: 131: OK 129: [12:25:08] Rep: 100 Mol:20 129: [12:25:08] Rep: 100 Mol:24 129: [12:25:08] Rep: 100 Mol:28 127: [12:25:08] Rep: 40 Mol:2 127: [12:25:08] Rep: 40 Mol:6 127: [12:25:08] Rep: 40 Mol:10 127: [12:25:08] Rep: 40 Mol:14 127: [12:25:08] Rep: 40 Mol:18 127: [12:25:08] Rep: 40 Mol:22 127: [12:25:08] Rep: 40 Mol:26 127: [12:25:08] Rep: 40 Mol:30 127: [12:25:08] Rep: 80 Mol:0 127: [12:25:08] Rep: 80 Mol:4 127: [12:25:08] Rep: 80 Mol:8 127: [12:25:08] Rep: 80 Mol:12 127: [12:25:08] Rep: 80 Mol:16 127: [12:25:08] Rep: 80 Mol:20 127: [12:25:08] Rep: 80 Mol:24 127: [12:25:08] Rep: 80 Mol:28 127: [12:25:08] Rep: 80 Mol:1 122/222 Test #131: pyForceFieldHelpers .................... Passed 1.61 sec test 134 Start 134: pyDistGeomHelpers 134: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 134: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap 134: Test timeout computed to be: 1500 127: [12:25:08] Rep: 80 Mol:5 127: [12:25:08] Rep: 80 Mol:9 127: [12:25:08] Rep: 80 Mol:13 127: [12:25:08] Rep: 80 Mol:17 127: [12:25:08] Rep: 80 Mol:21 127: [12:25:08] Rep: 80 Mol:25 127: [12:25:08] Rep: 80 Mol:29 129: [12:25:09] Rep: 100 Mol:2 129: [12:25:09] Rep: 100 Mol:6 129: [12:25:09] Rep: 100 Mol:10 129: [12:25:09] Rep: 100 Mol:14 129: [12:25:09] Rep: 100 Mol:18 129: [12:25:09] Rep: 100 Mol:22 129: [12:25:09] Rep: 100 Mol:26 129: [12:25:09] Rep: 100 Mol:30 127: [12:25:09] Rep: 60 Mol:2 127: [12:25:09] Rep: 60 Mol:6 127: [12:25:09] Rep: 60 Mol:10 127: [12:25:09] Rep: 60 Mol:14 127: [12:25:09] Rep: 60 Mol:18 127: [12:25:09] Rep: 60 Mol:22 127: [12:25:09] Rep: 60 Mol:26 127: [12:25:09] Rep: 60 Mol:30 134: .[12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: ..[12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 127: [12:25:09] Rep: 80 Mol:2 127: [12:25:09] Rep: 80 Mol:6 127: [12:25:09] Rep: 80 Mol:10 127: [12:25:09] Rep: 80 Mol:14 127: [12:25:09] Rep: 80 Mol:18 127: [12:25:09] Rep: 80 Mol:22 127: [12:25:09] Rep: 80 Mol:26 127: [12:25:09] Rep: 80 Mol:30 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: ..[12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: .[12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 105: =>start test GETAWAY custom 105: [12:25:09] test on : 365 molecules done 123/222 Test #105: testRDFcustom .......................... Passed 8.30 sec test 135 Start 135: testMolAlign 135: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign 135: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 135: Test timeout computed to be: 1500 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 129: [12:25:09] done 129: [12:25:09] ------------------------------------- 129: [12:25:09] Test UFF multithreading2 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:09] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 127: [12:25:10] done 127: [12:25:10] ------------------------------------- 127: [12:25:10] Test MMFF multithreading2 135: *********************************************************** 135: Testing MolAlign 135: --------------------------------- 135: test1MolAlign 135: 135: --------------------------------- 135: test1GetBestRMS 135: 135: --------------------------------- 135: test1MolWithQueryAlign 135: 135: --------------------------------- 135: test2AtomMap 135: 135: --------------------------------- 135: test3Weights 135: 135: --------------------------------- 135: testIssue241 135: 135: *********************************************************** 124/222 Test #135: testMolAlign ........................... Passed 0.40 sec test 136 Start 136: testO3AAlign 136: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign 136: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 136: Test timeout computed to be: 1500 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 6 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 6 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 6 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 11 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 11 134: [12:25:10] Molecule does not have explicit Hs. Consider calling AddHs() 133: [12:25:10] UFFTYPER: Warning: hybridization set to SP3 for atom 11 134: .[12:25:11] Molecule does not have explicit Hs. Consider calling AddHs() 129: [12:25:11] done 129: [12:25:11] ------------------------------------- 129: [12:25:11] Test UFF multithreading3 127: [12:25:11] done 127: [12:25:11] ------------------------------------- 127: [12:25:11] Test MMFF multithreading3 134: [12:25:11] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:25:12] Molecule does not have explicit Hs. Consider calling AddHs() 129: [12:25:12] done 129: [12:25:12] ------------------------------------- 129: [12:25:12] Testing GitHubIssue62. 129: [12:25:12] beta-lactam 39.6387 129: [12:25:12] cyclopropanone 174.698 129: [12:25:12] aziridine 337.986 129: [12:25:12] aziridinone 115.248 129: [12:25:12] isobutene 2.48217 129: [12:25:12] acetone 1.91788 129: [12:25:12] cyclopentanone 10.1648 129: [12:25:12] cyclopropene 99.4921 129: [12:25:12] cyclobutene 41.0156 129: [12:25:12] cyclopropane 267.236 129: [12:25:12] gamma-lactam 15.7471 129: [12:25:12] trans-2,3-diphenylcyclopropan-1-one 203.398 132: building molecules 127: [12:25:12] done 127: [12:25:12] ------------------------------------- 127: [12:25:12] Testing github 162: Incorrect SMILES after MMFF parameterization . 127: [12:25:12] done 127: [12:25:12] ------------------------------------- 127: [12:25:12] Testing github 224: crash during MMFF parameterization . 127: [12:25:12] done 127: [12:25:12] ------------------------------------- 127: [12:25:12] Testing github6728: crash due to missing stretch-bend params. 132: generating reference data 125/222 Test #127: testMMFFForceFieldHelpers .............. Passed 6.00 sec test 137 Start 137: molAlignCatchTest 137: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest 137: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign 137: Test timeout computed to be: 1500 134: [12:25:12] Molecule does not have explicit Hs. Consider calling AddHs() 129: [12:25:12] cis-2,3-diphenylcyclopropan-1-one 206.852 137: Randomness seeded to: 978632156 137: 85565480 129: [12:25:12] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 129: [12:25:12] cyclopropylidencyclobutane 218.879 137: 75946120 129: [12:25:12] diphenylmethylidencyclobutane 79.6139 129: [12:25:12] done 129: [12:25:12] ------------------------------------- 129: [12:25:12] Test Github Issue 613: UFF Atom type not properly assigned to lanthanides. 129: [12:25:12] done 129: [12:25:12] ------------------------------------- 129: [12:25:12] Test square planar complexes 129: [12:25:12] done 129: [12:25:12] ------------------------------------- 129: [12:25:12] Test octahedral complexes 129: [12:25:12] done 126/222 Test #129: testUFFForceFieldHelpers ............... Passed 6.26 sec test 138 Start 138: pyMolAlign 138: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 138: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolAlign/Wrap 138: Test timeout computed to be: 1500 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test unfolded version of RDKFP 116: [12:25:12] ------------------------------------- 116: [12:25:12] Test bitinfo of RDKFP 116: 562: [ 2 ], 116: 709: [ 0 1 ], 116: 1118: [ 0 1 2 ], 116: 1183: [ 1 2 ], 116: 1233: [ 0 1 2 ], 116: 1308: [ 0 ], [ 1 ], 116: 1339: [ 2 ], 116: 1728: [ 1 2 ], 116: 1772: [ 0 ], [ 1 ], 116: 1813: [ 0 1 ], 116: ------------ 116: [12:25:12] ------------------------------------- 116: [12:25:12] Single atoms setting radius 1 bits in Morgan fingerprints 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #879: Pattern fingerprint should set bits for single-atom fragments. 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #2115: BitInfo not complete for RDKFingerprint 116: [12:25:12] done 116: [12:25:12] ------------------------------------- 116: [12:25:12] Github #3723: Fingerprint crash for mols with Zero order bonds 116: [12:25:12] done 127/222 Test #116: testFingerprints ....................... Passed 8.74 sec test 139 Start 139: testFeatures 139: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures 139: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures 139: Test timeout computed to be: 1500 139: [12:25:12] ------------------------------------- 139: [12:25:12] AtomType parser testing. 139: [12:25:12] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103] 139: [12:25:12] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]' 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] FeatureDefinition parser testing. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Test pulling feat defs from a string. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] FeatureDef functionality testing. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] FeatureFactory testing. 139: [12:25:12] 1 139: [12:25:12] 2 139: [12:25:12] 3 139: [12:25:12] 4 139: [12:25:12] 5 139: [12:25:12] 6 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Feature Location testing. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Test building a FeatureFactory from a file 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing Issue 224. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing Issue 225. 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Test Issue346 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Test Issue347 139: [12:25:12] done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing Issue 348. 139: [12:25:12] SMARTS Parse Error: syntax error while parsing: [C[C] 139: [12:25:12] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]' 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing Nested AtomType definitions. 139: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing Github Issue #252: crash when calling getPos() with no conformer. 139: [12:25:12] expect a precondition failure message below 139: [12:25:12] 139: 139: **** 139: Pre-condition Violation 139: molecule has no conformers 139: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 139: Failed Expression: dp_mol->getNumConformers() 139: **** 139: 139: [12:25:12] Done 139: [12:25:12] ------------------------------------- 139: [12:25:12] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol() 139: [12:25:12] done 128/222 Test #139: testFeatures ........................... Passed 0.06 sec test 140 Start 140: pyChemicalFeatures 140: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 140: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap 140: Test timeout computed to be: 1500 134: [12:25:13] Molecule does not have explicit Hs. Consider calling AddHs() 63: [12:25:13] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 63: [12:25:13] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D. 134: [12:25:13] Molecule does not have explicit Hs. Consider calling AddHs() 63: ---------------------------------- 63: ---------------------------------- 63: [12:25:13] 63: 63: **** 63: Pre-condition Violation 63: rlabel out of range for MDL files 63: Violation occurred on line 776 in file ./Code/GraphMol/Atom.cpp 63: Failed Expression: rlabel >= 0 && rlabel < 100 63: **** 63: 63: [12:25:13] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm. 137: 1023358800 63: [12:25:13] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas 63: [12:25:13] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas' 63: [12:25:13] Empty atom list: 'M ALS 1 0 F' on line 8. 129/222 Test #63: fileParsersTest1 ....................... Passed 18.83 sec test 141 Start 141: testShapeHelpers 141: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers 141: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers 141: Test timeout computed to be: 1500 141: *********************************************************** 141: Testing ShapeHelpers 141: --------------------------------- 141: test1Encode 141: 141: --------------------------------- 141: test2Compare 141: 141: --------------------------------- 141: testGithub4364 141: 141: *********************************************************** 130/222 Test #141: testShapeHelpers ....................... Passed 0.02 sec test 142 Start 142: pyShapeHelpers 142: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 142: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap 142: Test timeout computed to be: 1500 25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 142: . 142: ---------------------------------------------------------------------- 142: Ran 1 test in 0.049s 142: 142: OK 142: Testing Shape Helpers wrapper 131/222 Test #142: pyShapeHelpers ......................... Passed 0.39 sec test 143 Start 143: testMolCatalog 143: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog 143: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog 143: Test timeout computed to be: 1500 132/222 Test #143: testMolCatalog ......................... Passed 0.03 sec test 144 Start 144: pyMolCatalog 144: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 144: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolCatalog/Wrap 144: Test timeout computed to be: 1500 140: .[12:25:14] Molecule does not have explicit Hs. Consider calling AddHs() 140: .[12:25:14] Molecule does not have explicit Hs. Consider calling AddHs() 25: All 191 tests passed 137: 744312080 137: =============================================================================== 137: All tests passed (73 assertions in 3 test cases) 137: 140: ..[12:25:14] Molecule does not have explicit Hs. Consider calling AddHs() 140: .[12:25:14] Molecule does not have explicit Hs. Consider calling AddHs() 140: .[12:25:14] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ] 140: [12:25:14] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]' 140: ... 140: ---------------------------------------------------------------------- 140: Ran 9 tests in 0.325s 140: 140: OK 133/222 Test #137: molAlignCatchTest ...................... Passed 2.17 sec test 145 Start 145: moldraw2DTest1 145: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1 145: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 145: Test timeout computed to be: 1500 145: ----------------- Test 1 145: file test1_6.svg gave hash 1109656969U not the expected 2635907956U 145: Done 145: ----------------- Test 2 144: . 144: ---------------------------------------------------------------------- 144: Ran 1 test in 0.026s 144: 144: OK 25: 25: Computing MMFF94 energies for /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 145: file test2_1.png gave hash 3662870653U not the expected 307437906U 145: file test2_2.png gave hash 3839236620U not the expected 610424244U 145: file test2_3.png gave hash 2294574389U not the expected 2179746375U 145: Done 145: ----------------- Test 4 145: file test4_1.png gave hash 1974149556U not the expected 1403972924U 145: Done 145: ----------------- Test 5 134/222 Test #140: pyChemicalFeatures ..................... Passed 1.99 sec test 146 Start 146: moldraw2DTestCatch 146: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch 146: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 146: Test timeout computed to be: 1500 145: file test5_1.png gave hash 2006087519U not the expected 1269428339U 145: file test5_2.png gave hash 3967299996U not the expected 3073694291U 145: file test5_3.png gave hash 2767610192U not the expected 1865192682U 145: Done 145: ----------------- Test 6 (atom labels) 145: Done 145: ----------------- Test 7 (backgrounds) 145: file test7_1.png gave hash 4080154814U not the expected 3033050306U 145: file test7_2.png gave hash 366251741U not the expected 3476380724U 145: Done 145: ----------------- Test8: PrepareMolDrawing 145: Done 145: ----------------- Test multi-threaded drawing 145: reading molecules 135/222 Test #144: pyMolCatalog ........................... Passed 0.70 sec test 147 Start 147: moldraw2DRxnTest1 147: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1 147: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D 147: Test timeout computed to be: 1500 145: generating reference drawings 147: ----------------- Test 1 134: [12:25:15] Molecule does not have explicit Hs. Consider calling AddHs() 147: file rxn_test1_1.png gave hash 3931149906U not the expected 1556334749U 146: Randomness seeded to: 2240255423 146: file contourMol_1.svg gave hash 4125787245U not the expected 2604538953U 146: file contourMol_2.svg gave hash 2850811663U not the expected 572669511U 146: file contourMol_3.svg gave hash 1894450507U not the expected 936771429U 145: processing 145: launch :0 145: launch :1 145: launch :2 145: launch :3 147: file rxn_test1_2.png gave hash 665316462U not the expected 1924084263U 146: file contourMol_4.svg gave hash 4223940354U not the expected 3302971362U 147: file rxn_test1_3.png gave hash 583399715U not the expected 1644921059U 146: file contourMol_5.svg gave hash 1093404576U not the expected 2230414999U 147: file rxn_test1_4.png gave hash 3197024324U not the expected 2471435686U 147: file rxn_test1_5.png gave hash 3779444276U not the expected 1428782307U 147: file rxn_test1_6.png gave hash 4083260446U not the expected 483353696U 134: [12:25:15] Molecule does not have explicit Hs. Consider calling AddHs() 147: file rxn_test1_7.png gave hash 3485241449U not the expected 528963379U 147: Done 147: ----------------- Test 2: some examples that caused problems in testing 146: file testGithub3226_1.png gave hash 1298537421U not the expected 2350054896U 147: file rxn_test2_1.png gave hash 4000022879U not the expected 399415052U 147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1 CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2 CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C 146: file testGithub3226_2.png gave hash 4249073986U not the expected 606206725U 147: file rxn_test2_2_1.png gave hash 1840548677U not the expected 1215378243U 147: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4 Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl 147: file rxn_test2_2_2.png gave hash 751090601U not the expected 3645141778U 147: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11] Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C 147: 2 C3)c4cccc(c4Cl)Cl CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl 147: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8] CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C 147: file rxn_test2_2_3.png gave hash 4146401115U not the expected 551946805U 146: file testGithub3226_3.png gave hash 1401608198U not the expected 2282880418U 147: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC 147: file rxn_test2_2_4.png gave hash 3607216253U not the expected 4234617566U 146: file testPNGMetadata_1.png gave hash 2404275697U not the expected 2423299691U 147: Done 147: ----------------- Test 3: test reactant highlighting 147: file rxn_test3_1.png gave hash 663098801U not the expected 4176857511U 147: file rxn_test3_1.svg gave hash 2319756417U not the expected 2165658826U 147: Done 147: ----------------- Test 4: some examples from SMARTS in testing 147: draw! 147: file rxn_test4_1.png gave hash 2172852570U not the expected 4187207676U 146: file testPNGMetadata_2.png gave hash 2335719695U not the expected 2803353117U 147: file rxn_test4_1.svg gave hash 2304233907U not the expected 3239755313U 147: done 134: [12:25:15] Molecule does not have explicit Hs. Consider calling AddHs() 146: file testGithub3369_1.svg gave hash 1012801087U not the expected 3091976328U 147: file rxn_test4_2.png gave hash 3573150360U not the expected 3490081297U 147: file rxn_test4_2.svg gave hash 4061413684U not the expected 4127054729U 147: Done 136/222 Test #147: moldraw2DRxnTest1 ...................... Passed 0.85 sec test 148 Start 148: pyMolDraw2D 148: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 148: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap 148: Test timeout computed to be: 1500 146: [12:25:15] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:15] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-1.svg gave hash 1143910631U not the expected 2253418236U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-1.png gave hash 3017698331U not the expected 698316547U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-2.svg gave hash 1182231268U not the expected 4132716144U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 134: [12:25:16] Molecule does not have explicit Hs. Consider calling AddHs() 146: file testHandDrawn-2.png gave hash 1476321984U not the expected 1605553248U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-3.svg gave hash 633044862U not the expected 4199337510U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-3.png gave hash 3459141761U not the expected 2881952238U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-4.svg gave hash 2180320567U not the expected 4197407865U 146: [12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-4.png gave hash 751103982U not the expected 3431655453U 134: [12:25:16] Molecule does not have explicit Hs. Consider calling AddHs() 148: ...[12:25:16] Font file /build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolDraw2D/Amadeus.ttf not found. 148: [12:25:16] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 148: ..........[12:25:16] 148: 148: **** 148: Pre-condition Violation 148: molecule must not be None 148: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp 148: Failed Expression: m 148: **** 148: 148: ..................... 148: ---------------------------------------------------------------------- 148: Ran 34 tests in 0.428s 148: 148: OK 148: json lasso 134: [12:25:17] Molecule does not have explicit Hs. Consider calling AddHs() 137/222 Test #148: pyMolDraw2D ............................ Passed 1.37 sec test 149 Start 149: testFMCS 149: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/testFMCS 149: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS 149: Test timeout computed to be: 1500 132: validating reference data 83: 0,0 0 83: 0,1 0 83: 1,0 0 83: 1,1 0 83: 2,0 0 83: 2,1 0 138/222 Test #83: testEnumeration ........................ Passed 20.78 sec test 150 Start 150: pyFMCS 150: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/FMCS/Wrap/testFMCS.py" 150: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Wrap 150: Test timeout computed to be: 1500 134: .[12:25:18] Molecule does not have explicit Hs. Consider calling AddHs() 146: file testHandDrawn-5a.svg gave hash 2478133241U not the expected 3628607349U 146: [12:25:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-5b.svg gave hash 2108082312U not the expected 2522138089U 146: [12:25:19] Font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/ComicNeue-Regular.ttf not found. 146: [12:25:19] Falling back to original font file /build/reproducible-path/rdkit-202309.3/Data/Fonts/Telex-Regular.ttf. 146: file testHandDrawn-5.png gave hash 205144647U not the expected 3439548169U 146: file testBrackets-5a.svg gave hash 4023768529U not the expected 3061667963U 136: *********************************************************** 136: Testing O3AAlign 136: --------------------------------- 136: testMMFFO3A 136: 136: --------------------------------- 136: testMMFFO3A with pre-computed dmat and MolHistogram 136: 136: --------------------------------- 136: testMMFFO3A with constraints 136: 136: --------------------------------- 136: testMMFFO3A with variable weight constraints followed by local-only optimization 136: 136: --------------------------------- 136: testCrippenO3A 136: 136: --------------------------------- 136: testCrippenO3A with pre-computed dmat and MolHistogram 136: 136: --------------------------------- 136: testCrippenO3A with constraints 136: 136: --------------------------------- 136: testCrippenO3A with variable weight constraints followed by local-only optimization 136: 136: --------------------------------- 136: testMMFFO3A multithreading 136: 146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U 136: generating reference data 146: file testSGroupData-3a.svg gave hash 62481132U not the expected 2405789536U 146: file testPositionVariation-1b.svg gave hash 823876785U not the expected 174339626U 146: [12:25:20] unrecognized bond typefile testGithub2976.svg gave hash 2858811732U not the expected 2669316911U 146: file testGithub4238_1.png gave hash 697827931U not the expected 3410617836U 146: file testGithub4323_1.png gave hash 1827938735U not the expected 3723958844U 136: processing 136: launch :0 136: launch :1 136: launch :2 136: launch :3 146: file testGithub4323_3.png gave hash 119218767U not the expected 2185913679U 146: [12:25:20] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered. 149: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 149: Time elapsed 0.000 seconds 149: 149: test32() 149: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds 149: Time elapsed 0.145 seconds 149: 149: test190() 149: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds 149: Time elapsed 0.025 seconds 149: 149: test3() 149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 149: Time elapsed 0.052 seconds 149: 149: testSimpleFast() 149: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds 149: Time elapsed 0.399 seconds 149: 149: testSimple() 149: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 149: Time elapsed 0.385 seconds 149: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 149: Time elapsed 0.465 seconds 149: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds 149: Time elapsed 0.485 seconds 149: 149: testSegFault() 149: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 149: Time elapsed 0.029 seconds 149: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds 149: Time elapsed 0.031 seconds 149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds 149: Time elapsed 0.007 seconds 149: 149: testThreshold() 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: Time elapsed 0.016 seconds 149: 149: testRing1() 149: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 149: Time elapsed 0.886 seconds 149: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds 149: Time elapsed 0.566 seconds 149: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds 149: Time elapsed 0.466 seconds 149: 149: testAtomCompareIsotopes() 149: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 149: Time elapsed 0.000 seconds 149: 149: testAtomCompareAnyAtom() 149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 149: Time elapsed 0.000 seconds 149: 149: testAtomCompareAnyAtom() 149: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 149: Time elapsed 0.000 seconds 149: 149: testAtomCompareAnyAtom() 149: MCS: [#1]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 8 atoms, 8 bonds 149: Time elapsed 0.000 seconds 149: 149: testAtomCompareAnyAtom() 149: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8] 7 atoms, 7 bonds 149: Time elapsed 0.000 seconds 149: 149: testJnk1LigandsDistance() 149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds 149: Time elapsed 0.017 seconds 149: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds 149: Time elapsed 0.001 seconds 149: 149: test18() 149: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1 149: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds 149: Time elapsed 0.012 seconds 149: 149: test504() 149: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1 149: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds 149: Time elapsed 0.212 seconds 149: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 149: Time elapsed 0.013 seconds 149: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds 149: Time elapsed 0.062 seconds 149: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds 149: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0172 seconds. bond[0]=6 149: STATISTICS: 149: Total Growing Steps = 1, MCS found on 1 step, for 0.0172 seconds 149: Initial Seeds = 1, Mismatched 0 149: Inspected Seeds = 2 149: Rejected by BestSize = 0 149: IndividualBondExcluded = 0 149: MatchCheck Seeds = 2 149: MatchCalls = 2 149: MatchFound = 1 149: fastMatchCalls = 1 149: fastMatchFound = 0 149: slowMatchCalls = 2 149: slowMatchFound = 1 149: DupCacheFound = 0 0 matched, 0 mismatched 149: HashCache size = 1 keys 149: HashCache size = 1 entries 149: FindHashInCache = 2 149: HashFoundInCache= 0 149: ExactMatchCalls = 0 149: ExactMatchFound = 0 149: Time elapsed 0.017 seconds 149: query=OCCl SubstructMatch(useChirality=false) res =1 size=3 149: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3 149: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 149: res sub = 1 size=3 149: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 149: res sub = 1 size=3 149: MCS: [#6](-[#9])-[#6] 3 atoms, 2 bonds 149: test target = CC[C@H](F)Cl query = CCC useChirality = 0 149: res sub = 1 size=3 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = CC[C@H](F)Cl query = CCC useChirality = 1 149: res sub = 1 size=3 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = CCC(F)Cl query = CC useChirality = 0 149: res sub = 1 size=2 149: MCS: [#6]-[#6] 2 atoms, 1 bonds 149: test target = CCC(F)Cl query = CC useChirality = 1 149: res sub = 1 size=2 149: MCS: [#6]-[#6] 2 atoms, 1 bonds 149: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 149: res sub = 1 size=4 149: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 149: res sub = 1 size=4 149: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 149: res sub = 0 size=0 149: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 149: res sub = 0 size=0 149: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 149: res sub = 0 size=0 149: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = OC(F)CCl query = OC(F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = OC(F)CCl query = OC(F)C useChirality = 1 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 149: res sub = 0 size=0 149: MCS: [#9] 1 atoms, 0 bonds 149: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 149: res sub = 1 size=4 149: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 149: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 149: res sub = 0 size=0 149: MCS: [#9] 1 atoms, 0 bonds 149: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 149: res sub = 1 size=3 149: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 149: res sub = 1 size=3 149: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 149: res sub = 1 size=3 149: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 149: res sub = 1 size=3 149: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 149: 149: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 149: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 149: res sub = 1 size=3 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 149: res sub = 1 size=3 149: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: done 146: file testFlexiCanvas.2a.png gave hash 4234574492U not the expected 3217758043U 146: file testFlexiCanvas.2b.png gave hash 615048826U not the expected 4070063910U 146: file testFlexiCanvas.3.svg gave hash 3867616289U not the expected 2819587550U 146: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U 146: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U 146: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U 146: file testGithub4764.sz1.png gave hash 4114540222U not the expected 98827714U 146: file testGithub4764.sz2.png gave hash 868193289U not the expected 89252465U 146: file testGithub4764.sz3.png gave hash 2835449234U not the expected 148503574U 146: file testGithub_5061.svg gave hash 4026821599U not the expected 83338095U 146: file github5383_1.svg gave hash 2850811663U not the expected 3666750661U 146: file github5383_2.svg gave hash 1346330069U not the expected 0U 146: file github5383_1.png gave hash 3310569434U not the expected 992803933U 146: file acs1996_1.png gave hash 1909632721U not the expected 2957839025U 146: file acs1996_2.png gave hash 1539606209U not the expected 2664798808U 146: file acs1996_3.svg gave hash 510450189U not the expected 879041204U 146: file acs1996_8.svg gave hash 10362698U not the expected 2477908768U 146: file acs1996_10.svg gave hash 1008047306U not the expected 2229333301U 146: [12:25:22] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1. The scale will be fixed, and that may not look great with a pre-determined size. 146: file bond_highlights_8.svg gave hash 1272407071U not the expected 2956924065U 146: file test_github5947.svg gave hash 4282730978U not the expected 337972125U 132: processing 132: launch :0 132: launch :1 132: launch :2 132: launch :3 146: file test_github6112.svg gave hash 3291975047U not the expected 3278777629U 146: file github6336_1.png gave hash 1930712448U not the expected 2958833204U 146: file github6504_1.svg gave hash 3649936662U not the expected 1429448598U 146: file github6504_2.svg gave hash 106020287U not the expected 2871662880U 146: file github6569_1.svg gave hash 1698514747U not the expected 116573839U 146: file github6569_2.svg gave hash 2778768241U not the expected 2367779037U 146: =============================================================================== 146: All tests passed (6525 assertions in 94 test cases) 146: 139/222 Test #146: moldraw2DTestCatch ..................... Passed 7.94 sec test 151 Start 151: FMCStest 151: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest 151: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/FMCS/Test 151: Test timeout computed to be: 1500 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 151: 151: testChEMBfopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: L_Txt() chembl_II_sets/Target_no_10193_58700.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: no_108_57887.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 151: 151: testChEMBL_Txt(fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: ) chembl_II_sets/Target_no_114_16827.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 151: 151: testChEMBL_Txfopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: t() chembl_II_sets/Target_no_121_37434.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_1295fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: 2_58700.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.tfopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: xt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 151: 151: testChEMBL_Txt() chefopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: mbl_II_sets/Target_no_259_34734.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 151: 151: testChEMBfopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: fopen testChEMBL_Txt(): No such file or directory 151: L_Txt() chembl_II_sets/Target_no_93_12377.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 151: 151: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 151: 151: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 151: ERROR: RDKit could not load input file 151: 151: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 151: ERROR: RDKit could not load input file 140/222 Test #151: FMCStest ............................... Passed 0.11 sec test 152 Start 152: molHashCatchTest 152: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest 152: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash 152: Test timeout computed to be: 1500 152: Randomness seeded to: 2560559548 152: =============================================================================== 152: All tests passed (304 assertions in 9 test cases) 152: 141/222 Test #152: molHashCatchTest ....................... Passed 0.09 sec test 153 Start 153: pyMolHash 153: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolHash/Wrap/testMolHash.py" 153: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolHash/Wrap 153: Test timeout computed to be: 1500 153: ... 153: ---------------------------------------------------------------------- 153: Ran 3 tests in 0.031s 153: 153: OK 142/222 Test #153: pyMolHash .............................. Passed 1.05 sec test 154 Start 154: testMMPA 154: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/testMMPA 154: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA 154: Test timeout computed to be: 1500 154: 154: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 154: Time elapsed 0.017990 seconds 154: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 154: 1: NOREF. Reference data NOT LISTED in test case. 154: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1 154: 2: NOREF. Reference data NOT LISTED in test case. 154: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2] 154: 3: NOREF. Reference data NOT LISTED in test case. 154: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 154: 4: NOREF. Reference data NOT LISTED in test case. 154: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 154: 5: NOREF. Reference data NOT LISTED in test case. 154: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 154: 6: NOREF. Reference data NOT LISTED in test case. 154: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 154: 7: NOREF. Reference data NOT LISTED in test case. 154: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3] 154: 8: NOREF. Reference data NOT LISTED in test case. 154: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 154: 9: NOREF. Reference data NOT LISTED in test case. 154: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 154: 10: NOREF. Reference data NOT LISTED in test case. 154: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 154: 11: NOREF. Reference data NOT LISTED in test case. 154: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 154: 12: NOREF. Reference data NOT LISTED in test case. 154: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 154: 13: NOREF. Reference data NOT LISTED in test case. 154: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 154: 14: NOREF. Reference data NOT LISTED in test case. 154: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 154: 15: NOREF. Reference data NOT LISTED in test case. 154: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1] 154: 16: NOREF. Reference data NOT LISTED in test case. 154: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 154: 17: NOREF. Reference data NOT LISTED in test case. 154: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1] 154: 18: NOREF. Reference data NOT LISTED in test case. 154: 154: --- UNMATCHED Reference RESULTS: --- 154: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 154: ----------------------------------- 154: Time elapsed 0.009783 seconds 154: 154: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 154: 1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 154: 1: PASSED. matchedRefRes = 4 154: 2: O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21, C[*:1].O=C(NCCO)[*:2] 154: 2: PASSED. matchedRefRes = 1 154: 3: O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OCC[*:2] 154: 3: PASSED. matchedRefRes = 6 154: 4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2] 154: 4: PASSED. matchedRefRes = 13 154: 5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2] 154: 5: PASSED. matchedRefRes = 12 154: 6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 154: 6: PASSED. matchedRefRes = 10 154: 7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 154: 7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 154: 8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 154: 9: NOREF. Reference data NOT LISTED in test case.O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 154: 10: NULL, Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 154: 10: PASSED. matchedRefRes = 3 154: 11: C([*:1])[*:2], Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 11: NOREF. Reference data NOT LISTED in test case.C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 12: C(C[*:2])[*:1], Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 12: PASSED. matchedRefRes = 8 154: 13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 13: PASSED. matchedRefRes = 9 154: 14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 14: PASSED. matchedRefRes = 11 154: 15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 154: 15: PASSED. matchedRefRes = 2 154: 154: --- UNMATCHED Reference RESULTS: --- 154: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 154: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 154: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 154: ----------------------------------- 154: 154: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717 154: Time elapsed 0.001649 seconds 154: 1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O 154: 1: PASSED. matchedRefRes = 4 154: 2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2] 154: 2: PASSED. matchedRefRes = 1 154: 3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2] 154: 3: PASSED. matchedRefRes = 6 154: 4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2] 154: 4: PASSED. matchedRefRes = 13 154: 5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2] 154: 5: PASSED. matchedRefRes = 12 154: 6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1] 154: 6: PASSED. matchedRefRes = 10 154: 7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 154: 7: NOREF. Reference data NOT LISTED in test case. 154: 8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 8: NOREF. Reference data NOT LISTED in test case. 154: 9: res= O=C(NCC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1] 154: 9: NOREF. Reference data NOT LISTED in test case. 154: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1] 154: 10: PASSED. matchedRefRes = 3 154: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 11: NOREF. Reference data NOT LISTED in test case. 154: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 12: PASSED. matchedRefRes = 8 154: 13: res= NULL,Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1] 154: 13: PASSED. matchedRefRes = 9 154: 14: res= C([*:1])[*:2],Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 14: PASSED. matchedRefRes = 11 154: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1] 154: 15: PASSED. matchedRefRes = 2 154: 154: --- UNMATCHED Reference RESULTS: --- 154: 5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 154: 7: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(N[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:2] 154: 14: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NCC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O[*:2] 154: 15: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,O=C(NC[*:2])[*:1],Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2] 154: ----------------------------------- 154: 154: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE 154: Time elapsed 0.000447 seconds 154: 1: res= NULL,C[*:1].O=CC(N1CC1)[*:1] 154: 1: PASSED. matchedRefRes = 2 154: 2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1] 154: 2: PASSED. matchedRefRes = 3 154: 3: res= C([*:1])([*:2])[*:3],C1CN1[*:3].C[*:1].O=C[*:2] 154: 3: NOREF. Reference data NOT LISTED in test case. 154: 4: res= C1CN1C([*:1])[*:2],C[*:1].O=C[*:2] 154: 4: PASSED. matchedRefRes = 4 154: 5: res= NULL,C1CN1[*:1].CC(C=O)[*:1] 154: 5: PASSED. matchedRefRes = 5 154: 6: res= CC([*:1])[*:2],C1CN1[*:2].O=C[*:1] 154: 6: NOREF. Reference data NOT LISTED in test case. 154: 7: res= NULL,CC(N1CC1)[*:1].O=C[*:1] 154: 7: PASSED. matchedRefRes = 7 154: 154: --- UNMATCHED Reference RESULTS: --- 154: 1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3] 154: 6: CC(N1CC1)C(=O),Case1-SIMPLE,CC([*:1])[*:2],C1CN1[*:1].O=C[*:2] 154: ----------------------------------- 154: 154: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1 154: Time elapsed 0.017862 seconds 154: 1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1 154: 1: NOREF. Reference data NOT LISTED in test case. 154: 2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1 154: 2: NOREF. Reference data NOT LISTED in test case. 154: 3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2] 154: 3: NOREF. Reference data NOT LISTED in test case. 154: 4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2] 154: 4: NOREF. Reference data NOT LISTED in test case. 154: 5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2] 154: 5: NOREF. Reference data NOT LISTED in test case. 154: 6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 154: 6: NOREF. Reference data NOT LISTED in test case. 154: 7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1] 154: 7: NOREF. Reference data NOT LISTED in test case. 154: 8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3] 154: 8: NOREF. Reference data NOT LISTED in test case. 154: 9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2] 154: 9: NOREF. Reference data NOT LISTED in test case. 154: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3] 154: 10: NOREF. Reference data NOT LISTED in test case. 154: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2] 154: 11: NOREF. Reference data NOT LISTED in test case. 154: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1] 154: 12: NOREF. Reference data NOT LISTED in test case. 154: 13: res= C1CC[NH+]([C:0]([*:1])[*:2])C1,C[*:1].Cc1ccccc1NC(=O)[*:2] 154: 13: NOREF. Reference data NOT LISTED in test case. 154: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2] 154: 14: NOREF. Reference data NOT LISTED in test case. 154: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1] 154: 15: NOREF. Reference data NOT LISTED in test case. 154: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1] 154: 16: NOREF. Reference data NOT LISTED in test case. 154: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1] 154: 17: NOREF. Reference data NOT LISTED in test case. 154: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1] 154: 18: NOREF. Reference data NOT LISTED in test case. 154: 154: --- UNMATCHED Reference RESULTS: --- 154: 1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1] 154: ----------------------------------- 154: 154: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2 154: Time elapsed 0.013991 seconds 154: 1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1 154: 1: NOREF. Reference data NOT LISTED in test case. 154: 2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1 154: 2: NOREF. Reference data NOT LISTED in test case. 154: 3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1 154: 3: NOREF. Reference data NOT LISTED in test case. 154: 4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1 154: 4: NOREF. Reference data NOT LISTED in test case. 154: 5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1 154: 5: NOREF. Reference data NOT LISTED in test case. 154: 6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1 154: 6: NOREF. Reference data NOT LISTED in test case. 154: 7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1 154: 7: NOREF. Reference data NOT LISTED in test case. 154: 8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1 154: 8: NOREF. Reference data NOT LISTED in test case. 154: 9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1 154: 9: NOREF. Reference data NOT LISTED in test case. 154: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1 154: 10: NOREF. Reference data NOT LISTED in test case. 154: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1 154: 11: NOREF. Reference data NOT LISTED in test case. 154: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1] 154: 12: NOREF. Reference data NOT LISTED in test case. 154: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2] 154: 13: NOREF. Reference data NOT LISTED in test case. 154: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1 154: 14: PASSED. matchedRefRes = 1 154: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1 154: 15: NOREF. Reference data NOT LISTED in test case. 154: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1] 154: 16: NOREF. Reference data NOT LISTED in test case. 154: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1 154: 17: NOREF. Reference data NOT LISTED in test case. 154: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1 154: 18: NOREF. Reference data NOT LISTED in test case. 154: 154: --- ALL PASSED --- 154: ----------------------------------- 154: 5 TEST CASES FAILED 143/222 Test #154: testMMPA ............................... Passed 0.26 sec test 155 Start 155: pyMMPA 155: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MMPA/Wrap/testMMPA.py" 155: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MMPA/Wrap 155: Test timeout computed to be: 1500 149: [12:25:25] The provided InitialSeed is not an MCS and will be ignored 25: Checking against /build/reproducible-path/rdkit-202309.3/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 25: All 191 tests passed 25: done 25: ------------------------------------- 25: Unit tests for all MMFF constraint terms. 25: 10.0003 25: done 25: ------------------------------------- 25: Unit test for MMFF TorsionConstraint close to 0 degrees. 25: done 25: ------------------------------------- 25: Unit tests for copying MMFF ForceFields. 25: done 25: ------------------------------------- 25: Unit test for MMFF butane scan. 25: done 144/222 Test #25: testMMFFForceField ..................... Passed 34.31 sec test 156 Start 156: testRascalMCES 156: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES 156: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES 156: Test timeout computed to be: 1500 134: ..[12:25:28] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 145: Done 145: ----------------- Test Github #781: Rendering single-atom molecules 145: Done 145: ----------------- Test 3 145: file test3_1.png gave hash 3995200969U not the expected 3984824963U 145: file test3_2.png gave hash 1726535510U not the expected 238321316U 145: file test3_3.png gave hash 1289881546U not the expected 414888185U 145: file test3_3.svg gave hash 1119144208U not the expected 1375178959U 145: file test3_4.png gave hash 3140382753U not the expected 2265825690U 145: file test3_4.svg gave hash 2680534430U not the expected 187720898U 145: file test3_5.png gave hash 3099888250U not the expected 1911551403U 145: file test3_5.svg gave hash 2157820698U not the expected 2015616393U 145: file test3_6.png gave hash 2620932115U not the expected 577293879U 145: file test3_7.png gave hash 807230453U not the expected 248355372U 145: Done 145: ----------------- Test Github774: upside-down drawings 145: file test774_1.png gave hash 3121030024U not the expected 927423591U 155: ......... 155: ---------------------------------------------------------------------- 155: Ran 9 tests in 3.884s 155: 155: OK 145: file test774_2.png gave hash 2368659339U not the expected 1171827286U 145: Done 145: ----------------- Test 9 (molecule legends) 145: file test9_1.svg gave hash 923579170U not the expected 1484349178U 145: Done 145: ----------------- Test Github852: Lines used to wedge bonds are too thick 150: ........................................[12:25:29] The provided InitialSeed is not an MCS and will be ignored 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: file test852_1.png gave hash 2345477955U not the expected 736085072U 150: .[12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: file test852_2.png gave hash 2980031162U not the expected 1438089260U 145: ---------------- 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: ---------------- 145: ---------------- 145: ---------------- 145: Done 145: ----------------- Test Github860: Atom symbols in wrong order if bond comes from right 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: file test860_1.png gave hash 988661147U not the expected 2065140854U 150: .[12:25:29] The provided InitialSeed is not an MCS and will be ignored 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: file test860_2.png gave hash 1783539966U not the expected 3098360765U 150: .[12:25:29] The provided InitialSeed is not an MCS and will be ignored 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: file test860_3.png gave hash 55970806U not the expected 3439618110U 145: Done 145: ----------------- Test Github #910: ugly coordinates generated for peptide chains 150: [12:25:29] The provided InitialSeed is not an MCS and will be ignored 145: Done 145: ----------------- Test Github #932: mistake in SVG for wedged bonds 145/222 Test #155: pyMMPA ................................. Passed 5.14 sec test 157 Start 157: testRascalCluster 157: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster 157: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES 157: Test timeout computed to be: 1500 145: Done 145: ----------------- Test Github #953: default color should not be cyan 145: Done 145: ----------------- Test Github #983: wedged bonds between chiral centers drawn improperly 145: Done 145: ----------------- Test Deuterium, Tritium 145: Done 145: ----------------- Test crossed bonds 145: Done 145: ----------------- Testing drawing a second molecule 145: file test10_5.svg gave hash 1068653509U not the expected 1334786394U 145: file test10_6.svg gave hash 2996130233U not the expected 961103536U 145: Done 145: ----------------- Testing drawing a grid of molecules 150: ................. 150: ---------------------------------------------------------------------- 150: Ran 60 tests in 10.919s 150: 150: OK 145: Done 145: ----------------- Testing drawMolecules 145: file test12_1.svg gave hash 2982175789U not the expected 881731720U 145: Done 145: ----------------- Test JSON Configuration 145: Done 145: ----------------- Testing github 1090: escape html characters in SVG output 145: Done 145: ----------------- Testing github 1035: overflow bug in SVG color generation 145: Done 145: ----------------- Testing github 1271: MolDraw2D not drawing anything for molecules aligned with the X or Y axes 145: Done 145: ----------------- Testing github 1322: add custom atom labels 145: Done 145: ----------------- Testing use of a black & white palette 145: Done 145: ----------------- Testing use of continuous highlighting with drawMolecules 145: Done 145: ----------------- Test 17 - Testing maximum font size 145: Done 145: ----------------- Testing github 1829: crash when drawMolecules() is called with an empty list 145: Done 145: ----------------- Testing use of fixed scales for drawing. 146/222 Test #150: pyFMCS ................................. Passed 11.99 sec test 158 Start 158: pyMolDraw2D 158: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py" 158: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RascalMCES/Wrap 158: Test timeout computed to be: 1500 145: Done 145: ----------------- Testing rotation of 2D drawing. 145: Done 145: ----------------- Testing inclusion of molecule metadata 145: Done 145: ----------------- Testing Github2063: Drawing racemic bond stereo as crossed bonds should be the default 145: Done 145: ----------------- Testing Github2151: MolDraw2D: line width should be controlled by MolDrawOptions 145: file testGithub2151_1.svg gave hash 255849476U not the expected 4119581143U 145: file testGithub2151_2.svg gave hash 1195866900U not the expected 425960913U 145: Done 145: ----------------- Testing testGithub2762: MolDraw2D: HCl and ethane should be drawn 145: Done 145: ----------------- Testing testGithub2931: multi-coloured molecule highlights. 145: file testGithub2931_1.svg gave hash 608211058U not the expected 3635831631U 145: file testGithub2931_3.svg gave hash 1702246706U not the expected 2885834646U 145: Done 145: ----------------- Testing annotation of 2D Drawing. 145: file test20_1.png gave hash 3948107650U not the expected 1672353490U 145: file test20_2.png gave hash 2454497089U not the expected 1073213605U 145: file test20_3.png gave hash 2576848427U not the expected 471234756U 145: file test20_4.png gave hash 2436713093U not the expected 2803490234U 145: Done 145: ----------------- Test 21 - different font 145: Done 145: ----------------- Test 22 - draw explicit methyls. 145: Done 145: ----------------- Testing drawing of legends. 145: Done 145: ----------------- Test Github 3305 - change and scale line widths. 145: file testGithub3305_1.png gave hash 3566226990U not the expected 1801411420U 145: file testGithub3305_2.png gave hash 3262469175U not the expected 2904846519U 145: file testGithub3305_3.png gave hash 2042445738U not the expected 2915229647U 145: file testGithub3305_4.png gave hash 3099888250U not the expected 1911551403U 145: file testGithub3305_4.svg gave hash 2157820698U not the expected 2015616393U 145: file testGithub3305_5.png gave hash 1702931839U not the expected 614319597U 145: file testGithub3305_5.svg gave hash 911738919U not the expected 3435115096U 145: file testGithub3305_6.png gave hash 4041722001U not the expected 3926947401U 145: file testGithub3305_7.png gave hash 1767819280U not the expected 1720405002U 145: Done 145: ----------------- Test Github 3391 - maxFontSize interacting badly with DrawMolecules. 145: Done 145: ----------------- Test Github 4156 - bad scale for radicals in grid 145: Done 145: ----------------- Test JSON atomColourPalette 145: Done 145: ----------------- Test draw aromatic OR queries 145: Done 145: ----------------- Test AND queries 145: Done 147/222 Test #145: moldraw2DTest1 ......................... Passed 16.10 sec test 159 Start 159: testCIPLabeler 159: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler 159: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler 159: Test timeout computed to be: 1500 159: Randomness seeded to: 2239518435 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: [12:25:30] non kekulizable aromatic bond being treated as bond order 1 159: =============================================================================== 159: All tests passed (5977 assertions in 13 test cases) 159: 148/222 Test #159: testCIPLabeler ......................... Passed 0.46 sec test 160 Start 160: pyCIPLabelsWrapTest 160: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py" 160: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 160: Test timeout computed to be: 1500 160: ... 160: ---------------------------------------------------------------------- 160: Ran 3 tests in 0.022s 160: 160: OK 149/222 Test #160: pyCIPLabelsWrapTest .................... Passed 1.56 sec test 161 Start 161: pyCIPLabelsValidation 161: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py" 161: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap 161: Test timeout computed to be: 1500 158: ........ 158: ---------------------------------------------------------------------- 158: Ran 8 tests in 3.195s 158: 158: OK 150/222 Test #158: pyMolDraw2D ............................ Passed 4.45 sec test 162 Start 162: deprotectTest 162: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest 162: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect 162: Test timeout computed to be: 1500 162: Randomness seeded to: 3110153582 162: =============================================================================== 162: All tests passed (111 assertions in 3 test cases) 162: 151/222 Test #162: deprotectTest .......................... Passed 0.25 sec test 163 Start 163: pyDeprotect 163: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Deprotect/Wrap/rough_test.py" 163: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Deprotect/Wrap 163: Test timeout computed to be: 1500 163: ..... 163: ---------------------------------------------------------------------- 163: Ran 5 tests in 0.090s 163: 163: OK 163: Testing tert-butyldimethylsilyl 163: Testing methoxytrityl 163: Testing tetrahydropyranyl 163: Testing methoxymethyl_ether 163: Testing beta-Methoxyethoxymethyl_ether 163: Testing benzyl 163: Testing trimethylsilyl 163: Testing benzoyl 163: Testing pivaloyl 163: Testing triisopropylsilyl 163: Testing acetyl 163: Testing para-methoxybenzyl_ether 163: Testing triphenylmethyl 163: Testing phthaloyl 163: Testing trimethylsilylethoxymethyl 163: Testing para-methoxyphenyl 163: Testing tosyl 163: Testing tert-butyloxycarbonyl 163: Testing trifluoroacetyl 163: Testing benzoyl 163: Testing 9-fluorenylmethyloxycarbonyl 163: Testing benzylamine 163: Testing acetamide 163: Testing carbobenzyloxy 163: Testing Acetal/Ketal 163: Testing tert-butyldimethylsilyl 163: Testing methoxytrityl 163: Testing tetrahydropyranyl 163: Testing methoxymethyl_ether 163: Testing beta-Methoxyethoxymethyl_ether 163: Testing benzyl 163: Testing trimethylsilyl 163: Testing benzoyl 163: Testing pivaloyl 163: Testing triisopropylsilyl 163: Testing acetyl 163: Testing para-methoxybenzyl_ether 163: Testing triphenylmethyl 163: Testing phthaloyl 163: Testing trimethylsilylethoxymethyl 163: Testing para-methoxyphenyl 163: Testing tosyl 163: Testing tert-butyloxycarbonyl 163: Testing trifluoroacetyl 163: Testing benzoyl 163: Testing 9-fluorenylmethyloxycarbonyl 163: Testing benzylamine 163: Testing acetamide 163: Testing carbobenzyloxy 163: Testing Acetal/Ketal 152/222 Test #163: pyDeprotect ............................ Passed 1.42 sec test 164 Start 164: testReducedGraphs 164: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs 164: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs 164: Test timeout computed to be: 1500 164: Size: 315 [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 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0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ] 164: 164: Size: 315 [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ] 164: 164: Size: 315 [ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0.3, 1, 0.3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, ] 164: 153/222 Test #164: testReducedGraphs ...................... Passed 0.09 sec test 165 Start 165: pyReducedGraphs 165: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py" 165: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap 165: Test timeout computed to be: 1500 165: ..... 165: ---------------------------------------------------------------------- 165: Ran 5 tests in 0.037s 165: 165: OK 154/222 Test #165: pyReducedGraphs ........................ Passed 1.09 sec test 166 Start 166: trajectoryTest 166: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest 166: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Trajectory 166: Test timeout computed to be: 1500 155/222 Test #166: trajectoryTest ......................... Passed 0.76 sec test 167 Start 167: substructLibraryTest 167: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest 167: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary 167: Test timeout computed to be: 1500 167: [12:25:38] ------------------------------------- 167: [12:25:38] Test1 156: Randomness seeded to: 188869862 156: Timed out after 11 seconds. 167: [12:25:38] done 167: [12:25:38] ------------------------------------- 167: [12:25:38] Test2 167: [12:25:39] done 167: [12:25:39] ------------------------------------- 167: [12:25:39] Test3 (stereo options) 167: [12:25:39] Done (stereo options) 167: [12:25:39] ------------------------------------- 167: [12:25:39] Test4 (trusted smiles) 167: [12:25:39] Done (trusted smiles) 167: [12:25:39] ------------------------------------- 167: [12:25:39] Testing C++ docs 167: [12:25:39] Done (C++ doc tests) 167: [12:25:39] ------------------------------------- 167: [12:25:39] Testing C++ ring query: PatternHolder 167: [12:25:39] Done (C++ ring query tests) 167: [12:25:39] ------------------------------------- 167: [12:25:39] Testing C++ ring query: TautomerPatternHolder 167: [12:25:39] Done (C++ ring query tests) 167: [12:25:39] ------------------------------------- 167: [12:25:39] Add Patterns 138: .............[12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:40] Molecule does not have explicit Hs. Consider calling AddHs() 157: Randomness seeded to: 933784943 157: /build/reproducible-path/rdkit-202309.3/Code/GraphMol/RascalMCES/data/chembl_1907596.smi 138: ...[12:25:45] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:45] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:45] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:45] Molecule does not have explicit Hs. Consider calling AddHs() 138: [12:25:45] Molecule does not have explicit Hs. Consider calling AddHs() 167: [12:25:45] ------------------------------------- 167: [12:25:45] testing PatternHolder 138: ... 138: ---------------------------------------------------------------------- 138: Ran 19 tests in 32.678s 138: 138: OK 138: Testing MolAlign Wrappers 167: [12:25:46] ------------------------------------- 167: [12:25:46] testing TautomerPatternHolder 156/222 Test #138: pyMolAlign ............................. Passed 33.54 sec test 168 Start 168: substructLibraryCatchTest 168: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest 168: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary 168: Test timeout computed to be: 1500 167: [12:25:46] ------------------------------------- 167: [12:25:46] testSegFaultInHolder 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: [12:25:46] dsafsdfSMILES 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf[12:25:46] Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: ' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error[12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: 167: [12:25:46] SMILES Parse Error: [12:25:46] SMILES Parse Error: syntax errorFailed parsing SMILES 'dsafsdf'SMILES Parse Error: syntax error[12:25:46] SMILES Parse Error: while parsing: syntax error[12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] SMILES Parse Error: syntax error while parsing: dsafsdf 167: [12:25:46] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf' 167: [12:25:46] ------------------------------------- 167: [12:25:46] Results do not depend on numThreads 168: Randomness seeded to: 2525863921 168: =============================================================================== 168: All tests passed (171 assertions in 5 test cases) 168: 157/222 Test #168: substructLibraryCatchTest .............. Passed 2.13 sec test 169 Start 169: pySubstructLibrary 169: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py" 169: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap 169: Test timeout computed to be: 1500 161: VS001: PASSED 161: VS002: PASSED 161: VS003: PASSED 161: VS004: PASSED 161: VS005: PASSED 161: VS006: PASSED 161: VS007: PASSED 161: VS008: PASSED 161: VS009: PASSED 161: VS010: PASSED 161: VS011: PASSED 161: VS012: PASSED 161: VS013: PASSED 161: VS014: PASSED 161: VS015: PASSED 161: VS016: PASSED 161: VS017: PASSED 161: VS018: PASSED 161: VS019: PASSED 161: VS020: PASSED 161: VS021: PASSED 161: VS022: PASSED 161: VS023: PASSED 161: VS024: PASSED 161: VS025: PASSED 161: VS026: PASSED 161: VS027: PASSED 161: VS028: PASSED 161: VS029: PASSED 161: VS030: PASSED 161: VS031: PASSED 161: VS032: PASSED 161: VS033: PASSED 161: VS034: PASSED 161: VS035: PASSED 161: VS036: PASSED 161: VS037: PASSED 161: VS038: PASSED 161: VS039: PASSED 161: VS040: PASSED 161: VS041: PASSED 161: VS042: PASSED 161: VS043: PASSED 161: VS044: PASSED 161: VS045: PASSED 161: VS046: PASSED 161: VS047: PASSED 161: VS048: PASSED 161: VS049: PASSED 161: VS050: PASSED 161: VS051: PASSED 161: VS052: PASSED 161: VS053: PASSED 161: VS054: PASSED 161: VS055: PASSED 161: VS056: PASSED 161: VS057: PASSED 161: VS058: PASSED 161: VS059: PASSED 161: VS060: PASSED 161: VS061: PASSED 161: VS062: PASSED 161: VS063: PASSED 161: VS064: PASSED 161: VS065: PASSED 161: VS066: PASSED 161: VS067: PASSED 161: VS068: PASSED 161: VS069: PASSED 161: VS070: PASSED 161: VS071: PASSED 161: VS072: PASSED 161: VS073: PASSED 161: VS074: PASSED 161: VS075: PASSED 161: VS076: PASSED 161: VS077: PASSED 161: VS078: PASSED 161: VS079: PASSED 161: VS080: PASSED 161: VS081: PASSED 161: VS082: PASSED 161: VS083: PASSED 161: VS084: PASSED 161: VS085: PASSED 161: VS086: PASSED 161: VS087: PASSED 161: VS088: PASSED 161: VS089: PASSED 161: VS090: PASSED 161: VS091: PASSED 161: VS092: PASSED 161: VS093: PASSED 161: VS094: PASSED 161: VS095: PASSED 161: VS096: PASSED 161: VS097: PASSED 161: VS098: PASSED 161: VS099: PASSED 161: VS100: PASSED 161: VS101: PASSED 161: VS102: PASSED 161: VS103: PASSED 161: VS104: PASSED 161: VS105: PASSED 161: VS106: PASSED 161: VS107: PASSED 161: VS108: PASSED 161: VS109: PASSED 161: VS110: PASSED 161: VS111: PASSED 161: VS112: PASSED 161: VS113: PASSED 161: VS114: PASSED 161: VS115: PASSED 161: VS116: PASSED 161: VS117: PASSED 161: VS118: PASSED 161: VS119: PASSED 161: VS120: PASSED 161: VS121: PASSED 161: VS122: PASSED 161: VS123: PASSED 161: VS124: PASSED 161: VS125: PASSED 161: VS126: PASSED 161: VS127: PASSED 161: VS128: PASSED 161: VS129: PASSED 161: VS130: PASSED 161: VS131: PASSED 161: VS132: PASSED 161: VS133: PASSED 161: VS134: PASSED 161: VS135: PASSED 161: VS136: PASSED 161: VS137: PASSED 161: VS138: PASSED 161: VS139: PASSED 161: VS140: PASSED 161: VS141: PASSED 161: VS142: PASSED 161: VS143: PASSED 161: VS144: PASSED 161: VS145: PASSED 161: VS146: PASSED 161: VS147: PASSED 161: VS148: PASSED 161: VS149: PASSED 161: VS150: PASSED 161: VS151: PASSED 161: VS152: PASSED 161: VS153: PASSED 161: VS154: PASSED 161: VS155: PASSED 161: VS156: PASSED 161: VS157: PASSED 161: VS158: PASSED 161: VS159: PASSED 161: VS160: PASSED 161: VS161: PASSED 161: VS162: PASSED 161: VS163: PASSED 161: VS164: PASSED 161: VS165: PASSED 161: VS166: PASSED 161: VS167: PASSED 161: VS168: PASSED 161: VS169: PASSED 161: VS170: PASSED 161: VS171: PASSED 161: VS172: PASSED 161: VS173: PASSED 161: VS174: PASSED 161: VS175: PASSED 161: VS176: PASSED 161: VS177: PASSED 161: VS178: PASSED 161: VS179: PASSED 161: VS180: PASSED 161: VS181: PASSED 161: VS182: PASSED 161: VS183: PASSED 161: VS184: PASSED 161: VS185: PASSED 161: VS186: PASSED 161: VS187: PASSED 161: VS188: PASSED 161: VS189: PASSED 161: VS190: PASSED 161: VS191: PASSED 161: VS192: PASSED 161: VS193: PASSED 161: VS194: PASSED 161: VS195: PASSED 161: VS196: PASSED 161: VS197: PASSED 161: VS198: PASSED 161: VS199: PASSED 161: VS200: PASSED 161: VS201: PASSED 161: VS202: PASSED 161: VS203: PASSED 161: VS204: PASSED 161: VS205: PASSED 161: VS206: PASSED 161: VS207: PASSED 161: VS208: PASSED 161: VS209: PASSED 161: VS210: PASSED 161: VS211: PASSED 161: VS212: PASSED 161: VS213: PASSED 161: VS214: PASSED 161: VS215: PASSED 161: VS216: PASSED 161: VS217: PASSED 161: VS218: PASSED 161: VS219: PASSED 161: VS220: PASSED 161: VS221: PASSED 161: VS222: PASSED 161: VS223: PASSED 161: VS224: PASSED 161: VS225: PASSED 161: VS226: PASSED 161: VS227: PASSED 161: VS228: PASSED 161: VS229: PASSED 161: VS230: PASSED 161: VS231: PASSED 161: VS232: PASSED 161: VS233: PASSED 161: VS234: PASSED 161: VS235: PASSED 161: VS236: PASSED 161: VS237: PASSED 161: VS238: PASSED 161: VS239: PASSED 161: VS240: PASSED 161: VS241: PASSED 161: VS242: PASSED 161: VS243: PASSED 161: VS244: PASSED 161: VS245: PASSED 161: VS246: PASSED 161: VS247: PASSED 161: VS248: PASSED 161: VS249: PASSED 161: VS250: PASSED 161: VS251: PASSED 161: VS252: PASSED 161: VS253: PASSED 161: VS254: PASSED 161: VS255: PASSED 161: VS256: PASSED 161: VS257: PASSED 161: VS258: PASSED 161: VS259: PASSED 161: VS260: PASSED 161: VS261: PASSED 161: VS262: PASSED 161: VS263: PASSED 161: VS264: PASSED 161: VS265: PASSED 161: VS266: PASSED 161: VS267: PASSED 161: VS268: PASSED 161: VS269: PASSED 161: VS270: PASSED 161: VS271: PASSED 161: VS272: PASSED 161: VS273: PASSED 161: VS274: PASSED 161: VS275: PASSED 161: VS276: PASSED 161: VS277: PASSED 161: VS278: PASSED 161: VS279: PASSED 161: VS280: PASSED 161: VS281: PASSED 161: VS282: PASSED 161: VS283: PASSED 161: VS284: PASSED 161: VS285: PASSED 161: VS286: PASSED 161: VS287: PASSED 161: VS288: PASSED 161: VS289: PASSED 161: VS290: PASSED 161: VS291: PASSED 161: VS292: PASSED 161: VS293: PASSED 161: VS294: PASSED 161: VS295: PASSED 161: VS296: PASSED 161: VS297: PASSED 161: VS298: PASSED 161: VS299: PASSED 161: VS300: PASSED 161: Check finished: 0 molecules failed. 161: Failed: 158/222 Test #161: pyCIPLabelsValidation .................. Passed 18.25 sec test 170 Start 170: testRGroupDecomp 170: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp 170: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 170: Test timeout computed to be: 1500 170: [12:25:52] Non terminal R group defined. To allow set allowNonTerminalRGroups in RGroupDecompositionParameters 170: [12:25:52] WARNING: not removing hydrogen atom with dummy atom neighbors 136: --------------------------------- 136: test O3A multithreading bug 136: 136: --------------------------------- 136: testCrippenO3A multithreading 136: 136: generating reference data 136: processing 136: launch :0 136: launch :1 136: launch :2 136: launch :3 149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 149: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 149: MCS MatchStereo true : [#6]-[#6]-[#6] 3 atoms, 2 bonds 149: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 149: MCS MatchStereo true : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds 149: TOTAL Time elapsed 37.46 seconds 159/222 Test #149: testFMCS ............................... Passed 37.60 sec test 171 Start 171: testRGroupDecompInternals 171: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals 171: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 171: Test timeout computed to be: 1500 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 171: [12:25:54] WARNING: not removing hydrogen atom with dummy atom neighbors 160/222 Test #171: testRGroupDecompInternals .............. Passed 0.15 sec test 172 Start 172: rgroupCatchTests 172: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests 172: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition 172: Test timeout computed to be: 1500 172: Randomness seeded to: 1383830498 172: =============================================================================== 172: All tests passed (203 assertions in 13 test cases) 172: 161/222 Test #172: rgroupCatchTests ....................... Passed 0.73 sec test 173 Start 173: pyRGroupDecomposition 173: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py" 173: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap 173: Test timeout computed to be: 1500 167: [12:25:56] ------------------------------------- 167: [12:25:56] Results do not depend on numThreads (all same) 167: [12:25:56] ------------------------------------- 167: [12:25:56] testTautomerQueries 167: [12:25:56] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring... 167: [12:25:56] ------------------------------------- 167: [12:25:56] github3881 recursive smarts with rings 162/222 Test #167: substructLibraryTest ................... Passed 18.69 sec test 174 Start 174: molInterchangeTest1 174: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1 174: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange 174: Test timeout computed to be: 1500 174: [12:25:56] test1: basics 174: [12:25:56] done 174: [12:25:56] test2: basic writing 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,0]}]}]} 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]} 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]} 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]} 174: [12:25:56] done 174: [12:25:56] test3: writing conformers 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1987,-0.0452],[-0.3332,0.4555],[0.1659,1.322],[0.5332,-0.0438],[-2.0652,0.4541],[-0.8339,1.3212]]},{"dim":3,"coords":[[0.9553,-0.3743,-0.4679],[-0.3616,-0.131,-0.0794],[-0.5097,1.6255,0.1705],[-0.5778,-0.7919,1.1042],[1.5276,0.1063,0.1627],[-1.0339,-0.4345,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]} 174: [12:25:56] done 174: [12:25:56] test4: writing properties 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,0]}]}]} 174: [12:25:56] done 174: [12:25:56] test5: writing partial charges 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2023.09.3","values":[0.5,-0.5]}]}]} 174: [12:25:56] testing parse options 174: [12:25:56] done 174: [12:25:56] testing github #2046: CIPRank values from JSONDataToMols are not unsigned 174: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2023.09.3","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]} 174: [12:25:56] done 174: [12:25:56] testing 'either' stereochemistry 174: [12:25:56] done 163/222 Test #174: molInterchangeTest1 .................... Passed 0.07 sec test 175 Start 175: molInterchangeCatchTest 175: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest 175: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange 175: Test timeout computed to be: 1500 175: Randomness seeded to: 2063953932 175: [12:25:56] unrecognized bond type 12 set to zero while writing 175: [12:25:56] unrecognized bond type 0 set to zero while writing 175: =============================================================================== 175: All tests passed (117 assertions in 5 test cases) 175: 164/222 Test #175: molInterchangeCatchTest ................ Passed 0.08 sec test 176 Start 176: pyMolInterchange 176: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py" 176: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolInterchange/Wrap 176: Test timeout computed to be: 1500 176: .. 176: ---------------------------------------------------------------------- 176: Ran 2 tests in 0.039s 176: 176: OK 165/222 Test #176: pyMolInterchange ....................... Passed 1.08 sec test 177 Start 177: testSLNParse 177: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse 177: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse 177: Test timeout computed to be: 1500 177: [12:25:57] SLN Parse Error: syntax error while parsing: CH4[I=13] 177: [12:25:57] Failed parsing SLN 'CH4[I=13]' 177: [12:25:57] SLN Parser error: Atom ID 1 appears *after* its ring closure. 177: [12:25:57] SLN Parser error: Ring closure 1 does not have a corresponding opener. 177: [12:25:57] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 177: [12:25:57] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)' 177: [12:25:57] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 177: [12:25:57] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)' 177: [12:25:57] SLN Parse Error: syntax error while parsing: CH4 fff 177: [12:25:57] Failed parsing SLN 'CH4 fff' 177: [12:25:57] SLN Parse Error: syntax error while parsing: C[charge=+1] foo 177: [12:25:57] Failed parsing SLN 'C[charge=+1] foo' 177: [12:25:58] Query property 'is' ignored on non-query atom 177: [12:25:58] Query property 'is' ignored on non-query atom 166/222 Test #177: testSLNParse ........................... Passed 0.09 sec test 178 Start 178: pySLNParse 178: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/SLNParse/Wrap/testSLN.py" 178: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/SLNParse/Wrap 178: Test timeout computed to be: 1500 178: .. 178: ---------------------------------------------------------------------- 178: Ran 2 tests in 0.019s 178: 178: OK 167/222 Test #178: pySLNParse ............................. Passed 0.99 sec test 179 Start 179: pyGraphMolWrap 179: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/rough_test.py" 179: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 179: Test timeout computed to be: 1500 170: iterative 173: .................. 173: ---------------------------------------------------------------------- 173: Ran 18 tests in 3.143s 173: 173: OK 179: ..............[12:26:00] SMARTS Parse Error: syntax error while parsing: fiib 179: [12:26:00] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib' 179: ....[12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] Spurious data before the first property will be ignored 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] Spurious data before the first property will be ignored 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] Property will be truncated after the first blank line 179: [12:26:00] ERROR: Problems encountered parsing data fields 179: [12:26:00] ERROR: moving to the beginning of the next molecule 179: [12:26:00] Property will be truncated after the first blank line 179: .[12:26:00] SMILES Parse Error: syntax error while parsing: fail 179: [12:26:00] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail' 179: [12:26:00] ERROR: Smiles parse error on line 2 179: [12:26:00] ERROR: Cannot create molecule from : 'fail' 179: >>> This may result in an infinite loop. It should finish almost instantly 179: <<< OK, it finished. 179: ............[12:26:00] Explicit valence for atom # 1 C, 5, is greater than permitted 168/222 Test #173: pyRGroupDecomposition .................. Passed 4.45 sec test 180 Start 180: pyTestConformerWrap 180: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testConformer.py" 180: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 180: Test timeout computed to be: 1500 179: ............[12:26:00] non-ring atom 0 marked aromatic 179: [12:26:00] non-ring atom 0 marked aromatic 179: [12:26:00] 179: 179: **** 179: Range Error 179: idx 179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp 179: Failed Expression: 12 < 6 179: **** 179: 179: [12:26:00] non-ring atom 0 marked aromatic 179: [12:26:00] non-ring atom 0 marked aromatic 179: [12:26:00] 179: 179: **** 179: Range Error 179: idx 179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp 179: Failed Expression: 12 < 6 179: **** 179: 179: ...............[12:26:00] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 179: [12:26:00] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 179: ..............[12:26:00] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 179: [12:26:00] Explicit valence for atom # 1 C, 5, is greater than permitted 134: ......[12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: .[12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: .[12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: [12:26:00] Molecule does not have explicit Hs. Consider calling AddHs() 134: . 134: ---------------------------------------------------------------------- 134: Ran 19 tests in 50.969s 134: 134: OK 169/222 Test #134: pyDistGeomHelpers ...................... Passed 52.00 sec test 181 Start 181: pyTestTrajectory 181: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testTrajectory.py" 181: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 181: Test timeout computed to be: 1500 180: ...... 180: ---------------------------------------------------------------------- 180: Ran 6 tests in 0.024s 180: 180: OK 170/222 Test #180: pyTestConformerWrap .................... Passed 1.15 sec test 182 Start 182: pyTestSGroups 182: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testSGroups.py" 182: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 182: Test timeout computed to be: 1500 170: bulk 181: [12:26:01] 181: 181: **** 181: Pre-condition Violation 181: from must be < size() 181: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: from < static_cast(size()) 181: **** 181: 181: .[12:26:01] 181: 181: **** 181: Pre-condition Violation 181: from must be < size() 181: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: from < static_cast(size()) 181: **** 181: 182: ............. 182: ---------------------------------------------------------------------- 182: Ran 13 tests in 0.055s 182: 182: OK 182: Testing SubstanceGroups wrapper 181: .[12:26:02] 181: 181: **** 181: Range Error 181: snapshotNum 181: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: 0 < 0 181: **** 181: 181: .[12:26:02] 181: 181: **** 181: Pre-condition Violation 181: The trajectory must have dimension == 3 181: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: traj.dimension() == 3 181: **** 181: 181: ..[12:26:02] 181: 181: **** 181: Pre-condition Violation 181: The trajectory must have dimension == 3 181: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: traj.dimension() == 3 181: **** 181: 181: .[12:26:02] 181: 181: **** 181: Pre-condition Violation 181: d_pos must not be NULL 181: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: d_pos 181: **** 181: 181: [12:26:02] 181: 181: **** 181: Pre-condition Violation 181: d_trajectory must not be NULL 181: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: d_trajectory 181: **** 181: 181: .[12:26:02] 181: 181: **** 181: Range Error 181: snapshotNum 181: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: 5 < 5 181: **** 181: 181: [12:26:02] 181: 181: **** 181: Range Error 181: pointNum 181: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: 10 < 10 181: **** 181: 181: .[12:26:02] 181: 181: **** 181: Range Error 181: snapshotNum 181: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: 5 < 5 181: **** 181: 181: [12:26:02] 181: 181: **** 181: Pre-condition Violation 181: d_dimension must be == 2 181: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: d_trajectory->dimension() == 2 181: **** 181: 181: [12:26:02] 181: 181: **** 181: Pre-condition Violation 181: d_dimension must be == 2 181: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp 181: Failed Expression: d_trajectory->dimension() == 2 181: **** 181: 181: . 181: ---------------------------------------------------------------------- 181: Ran 9 tests in 0.512s 181: 181: OK 181: Testing Trajectory wrapper 171/222 Test #182: pyTestSGroups .......................... Passed 1.00 sec test 183 Start 183: pyTestThreads 183: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testThreads.py" 183: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 183: Test timeout computed to be: 1500 172/222 Test #181: pyTestTrajectory ....................... Passed 1.54 sec test 184 Start 184: pyTestMultithreadedMolSupplier 184: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py" 184: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 184: Test timeout computed to be: 1500 184: .s. 184: ---------------------------------------------------------------------- 184: Ran 3 tests in 0.347s 184: 184: OK (skipped=1) 184: Testing Smiles and SD MultithreadedMolSupplier 173/222 Test #184: pyTestMultithreadedMolSupplier ......... Passed 1.26 sec test 185 Start 185: pyTestPropertyLists 185: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/testPropertyLists.py" 185: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 185: Test timeout computed to be: 1500 170: bulk, no symmetry 185: [12:26:04] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 185: [12:26:04] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 185: [12:26:04] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 185: .[12:26:04] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 185: [12:26:04] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 185: [12:26:04] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 185: ...[12:26:04] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it. 185: [12:26:04] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it. 185: [12:26:04] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it. 185: . 185: ---------------------------------------------------------------------- 185: Ran 5 tests in 0.017s 185: 185: OK 174/222 Test #185: pyTestPropertyLists .................... Passed 0.69 sec test 186 Start 186: pyCDXMLTest 186: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Wrap/test_cdxml.py" 186: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Wrap 186: Test timeout computed to be: 1500 186: . 186: ---------------------------------------------------------------------- 186: Ran 1 test in 0.027s 186: 186: OK 175/222 Test #186: pyCDXMLTest ............................ Passed 0.79 sec test 187 Start 187: molStandardizeTest 187: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest 187: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 187: Test timeout computed to be: 1500 170: [12:26:05] Relabelling existing label 170: Best mapping 176/222 Test #170: testRGroupDecomp ....................... Passed 15.76 sec test 188 Start 188: molNormalizeTest 188: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest 188: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 188: Test timeout computed to be: 1500 188: [12:26:06] Can't kekulize mol. Unkekulized atoms: 3 7 8 9 188: [12:26:07] Initializing Normalizer 188: [12:26:07] Running Normalizer 188: [12:26:07] Rule applied: BrokenazidetoN=N+=N- 188: [12:26:07] Initializing Normalizer 188: [12:26:07] Running Normalizer 188: [12:26:07] Initializing Normalizer 188: [12:26:07] Running Normalizer 177/222 Test #188: molNormalizeTest ....................... Passed 0.35 sec test 189 Start 189: molValidateTest 189: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest 189: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 189: Test timeout computed to be: 1500 178/222 Test #189: molValidateTest ........................ Passed 0.14 sec test 190 Start 190: molChargeTest 190: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest 190: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 190: Test timeout computed to be: 1500 179/222 Test #187: molStandardizeTest ..................... Passed 2.41 sec test 191 Start 191: molTautomerTest 191: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest 191: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 191: Test timeout computed to be: 1500 180/222 Test #190: molChargeTest .......................... Passed 0.27 sec test 192 Start 192: molStandardizeSmallTest 192: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest 192: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 192: Test timeout computed to be: 1500 181/222 Test #192: molStandardizeSmallTest ................ Passed 0.15 sec test 193 Start 193: molFragmentTest 193: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest 193: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 193: Test timeout computed to be: 1500 193: [12:26:07] SMARTS Parse Error: syntax error while parsing: [Cl 193: [12:26:07] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl' 182/222 Test #193: molFragmentTest ........................ Passed 0.14 sec test 194 Start 194: molStandardizeCatchTest 194: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest 194: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize 194: Test timeout computed to be: 1500 194: Randomness seeded to: 3778295808 194: * - * - * - * m1 194: * - * - * - * m2 194: * - * - * - * m1 194: * - * - * - * m2 194: [12:26:08] Can't kekulize mol. Unkekulized atoms: 3 7 194: [12:26:08] Can't kekulize mol. Unkekulized atoms: 3 8 194: [12:26:08] Can't kekulize mol. Unkekulized atoms: 2 3 4 191: [12:26:08] Tautomer enumeration stopped at 292 tautomers: max transforms reached 191: [12:26:09] Tautomer enumeration stopped at 292 tautomers: max transforms reached 191: [12:26:10] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 191: [12:26:10] Tautomer enumeration stopped at 28 tautomers: canceled 191: Enumeration was canceled due to timeout (50 ms) 191: 375 191: Enumeration has completed 169: ......[12:26:11] 169: 169: **** 169: Pre-condition Violation 169: RingInfo not initialized 169: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp 169: Failed Expression: df_init 169: **** 169: 169: [12:26:11] 169: 169: **** 169: Pre-condition Violation 169: RingInfo not initialized 169: Violation occurred on line 129 in file ./Code/GraphMol/RingInfo.cpp 169: Failed Expression: df_init 169: **** 169: 179: ...........................[12:26:12] unable to set wavy bonds for double bonds: 3 179: .........[12:26:12] 179: 179: **** 179: Range Error 179: idx 179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp 179: Failed Expression: 6 < 5 179: **** 179: 191: CN=c1cc[nH]cn1 191: CN=c1ccnc[nH]1 191: CNc1ccncn1 191: res: CNc1ccncn1 191: CN=c1cccc[nH]1 191: CNc1ccccn1 191: res: CNc1ccccn1 183/222 Test #191: molTautomerTest ........................ Passed 5.55 sec test 195 Start 195: pyMolStandardize 195: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py" 195: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolStandardize/Wrap 195: Test timeout computed to be: 1500 195: .....[12:26:14] Tautomer enumeration stopped at 292 tautomers: max transforms reached 195: [12:26:14] Tautomer enumeration stopped at 50 tautomers: max tautomers reached 195: .[12:26:15] Tautomer enumeration stopped at 23 tautomers: canceled 195: Enumeration was canceled due to timeout (50 ms) 179: ...................[12:26:15] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:15] Explicit valence for atom # 6 F, 2, is greater than permitted 179: [12:26:15] Can't kekulize mol. Unkekulized atoms: 3 4 5 179: ...............[12:26:15] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 194: =============================================================================== 194: All tests passed (18691 assertions in 41 test cases) 194: 184/222 Test #194: molStandardizeCatchTest ................ Passed 9.09 sec test 196 Start 196: testScaffoldNetwork 196: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork 196: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork 196: Test timeout computed to be: 1500 195: Enumeration has completed 195: [12:26:17] Tautomer enumeration stopped at 40 tautomers: canceled 195: ....................[12:26:18] Explicit valence for atom # 1 O, 3, is greater than permitted 185/222 Test #183: pyTestThreads .......................... Passed 16.51 sec test 197 Start 197: pyScaffoldNetwork 197: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py" 197: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 197: Test timeout computed to be: 1500 195: . 195: ---------------------------------------------------------------------- 195: Ran 27 tests in 5.342s 195: 195: OK 195: done 186/222 Test #195: pyMolStandardize ....................... Passed 6.07 sec test 198 Start 198: pyScaffoldNetworkPickling 198: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py" 198: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap 198: Test timeout computed to be: 1500 197: ....... 197: ---------------------------------------------------------------------- 197: Ran 7 tests in 0.097s 197: 197: OK 196: Randomness seeded to: 1273396714 196: =============================================================================== 196: All tests passed (269 assertions in 19 test cases) 196: 187/222 Test #196: testScaffoldNetwork .................... Passed 2.90 sec test 199 Start 199: testMolEnumerator 199: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator 199: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator 199: Test timeout computed to be: 1500 188/222 Test #197: pyScaffoldNetwork ...................... Passed 1.12 sec test 200 Start 200: pyMolEnumerator 200: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/MolEnumerator/Wrap/rough_test.py" 200: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap 200: Test timeout computed to be: 1500 199: Randomness seeded to: 3214432258 199: [12:26:20] can only enumerate SRUs with CONNECT=HT or CONNECT=HH 199: =============================================================================== 199: All tests passed (321 assertions in 16 test cases) 199: 189/222 Test #199: testMolEnumerator ...................... Passed 0.17 sec test 201 Start 201: testAbbreviations 201: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations 201: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations 201: Test timeout computed to be: 1500 201: Randomness seeded to: 803607618 201: [12:26:20] SMARTS Parse Error: syntax error while parsing: *fail 201: [12:26:20] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail' 201: [12:26:20] no suitable SubstanceGroups found 201: =============================================================================== 201: All tests passed (195 assertions in 12 test cases) 201: 190/222 Test #201: testAbbreviations ...................... Passed 0.09 sec test 202 Start 202: pyAbbreviations 202: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py" 202: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/Abbreviations/Wrap 202: Test timeout computed to be: 1500 198: . 198: ---------------------------------------------------------------------- 198: Ran 1 test in 0.040s 198: 198: OK 191/222 Test #198: pyScaffoldNetworkPickling .............. Passed 1.27 sec test 203 Start 203: generalizedSubstructCatch 203: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch 203: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct 203: Test timeout computed to be: 1500 200: ... 200: ---------------------------------------------------------------------- 200: Ran 3 tests in 0.044s 200: 200: OK 202: ....... 202: ---------------------------------------------------------------------- 202: Ran 7 tests in 0.077s 202: 202: OK 203: Randomness seeded to: 3888909269 203: =============================================================================== 203: All tests passed (180 assertions in 10 test cases) 203: 192/222 Test #203: generalizedSubstructCatch .............. Passed 0.59 sec test 204 Start 204: pyGeneralizedSubstruct 204: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py" 204: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap 204: Test timeout computed to be: 1500 193/222 Test #200: pyMolEnumerator ........................ Passed 1.11 sec test 205 Start 205: testQuery 205: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Query/testQuery 205: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/Query 205: Test timeout computed to be: 1500 205: Query 205: Query2 205: Equality 205: Greater 205: GreaterEqual 205: Less 205: LessEqual 205: Open Range 205: Closed Range 205: Float 205: With Tolerance 205: Set 205: And 205: Or 205: XOr 205: pointer and copy foo 205: Set2 194/222 Test #205: testQuery .............................. Passed 0.02 sec test 206 Start 206: testMatCalc 206: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc 206: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc 206: Test timeout computed to be: 1500 206: 1.68022e+08 206: 1.73149e+08 206: 1.05549e+08 206: 7.20603e+07 206: 1.41535e+08 206: 1.08592e+08 206: 1.11334e+08 206: 2.05553e+08 206: 1.54962e+08 206: 8.08231e+07 206: 5.61421e+07 206: 1.28874e+08 206: 1.59011e+08 206: 8.69902e+07 206: 1.31367e+08 206: 2.27389e+08 206: 1.60289e+08 206: 7.79813e+07 206: 1.61001e+08 206: 2.07599e+08 206: 2.24432e+08 206: 1.39725e+08 206: 2.42614e+08 206: 1.77578e+08 206: 1.05908e+08 206: 9.06742e+07 206: 1.8087e+08 206: 1.98182e+08 206: 2.03052e+08 206: 1.7673e+08 206: 9.32798e+07 206: 1.37969e+08 206: 1.83778e+08 206: 2.1228e+08 206: 5.06157e+07 206: 1.566e+08 206: 2.37142e+08 206: 1.49345e+08 206: 7.05819e+07 206: 1.71633e+08 206: 1.96817e+08 206: 2.18246e+08 206: 9.49496e+07 206: 2.25618e+08 206: 1.30219e+08 195/222 Test #206: testMatCalc ............................ Passed 0.02 sec test 207 Start 207: pyMatCalc 207: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 207: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap 207: Test timeout computed to be: 1500 196/222 Test #202: pyAbbreviations ........................ Passed 1.04 sec test 208 Start 208: testSimDivPickers 208: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/testSimDivPickers 208: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers 208: Test timeout computed to be: 1500 208: [12:26:21] ------------------------------------- 208: [12:26:21] Testing github issue 1421: MaxMinPicker picking non-existent element. 208: [12:26:21] Done 208: [12:26:21] ------------------------------------- 208: [12:26:21] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour. 208: [12:26:21] Done 197/222 Test #208: testSimDivPickers ...................... Passed 0.02 sec test 209 Start 209: pickersTestsCatch 209: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/pickersTestsCatch 209: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers 209: Test timeout computed to be: 1500 136: --------------------------------- 136: test getO3AForProbeConfs 136: 136: *********************************************************** 198/222 Test #136: testO3AAlign ........................... Passed 71.06 sec test 210 Start 210: pySimDivPickers 210: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/SimDivPickers/Wrap/testPickers.py" 210: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/SimDivPickers/Wrap 210: Test timeout computed to be: 1500 209: Randomness seeded to: 1584165326 209: =============================================================================== 209: All tests passed (21267 assertions in 1 test case) 209: 199/222 Test #209: pickersTestsCatch ...................... Passed 0.23 sec test 211 Start 211: pyRanker 211: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ML/InfoTheory/Wrap/testRanker.py" 211: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ML/InfoTheory/Wrap 211: Test timeout computed to be: 1500 211: ..[12:26:22] 211: 211: **** 211: Invariant Violation 211: Can't rank more bits than the ensemble size 211: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp 211: Failed Expression: num <= dp_maskBits->getNumOnBits() 211: **** 211: 211: ... 211: ---------------------------------------------------------------------- 211: Ran 5 tests in 0.049s 211: 211: OK 210: [12:26:22] the useCache argument is deprecated and ignored 200/222 Test #211: pyRanker ............................... Passed 1.01 sec test 212 Start 212: testChemicalFeatures 212: Test command: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures 212: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures 212: Test timeout computed to be: 1500 212: ----------------------------------------- 212: Test1 212: Done 201/222 Test #212: testChemicalFeatures ................... Passed 0.02 sec test 213 Start 213: pyFeatures 213: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Code/ChemicalFeatures/Wrap/testFeatures.py" 213: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Code/ChemicalFeatures/Wrap 213: Test timeout computed to be: 1500 204: ....... 204: ---------------------------------------------------------------------- 204: Ran 7 tests in 0.516s 204: 204: OK 202/222 Test #204: pyGeneralizedSubstruct ................. Passed 1.87 sec test 214 Start 214: pythonTestDbCLI 214: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/Projects/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/Projects" 214: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/Projects 214: Test timeout computed to be: 1500 210: ...[12:26:23] the useCache argument is deprecated and ignored 210: [12:26:23] the useCache argument is deprecated and ignored 210: .[12:26:23] the useCache argument is deprecated and ignored 179: ..[12:26:23] 179: 179: **** 179: Pre-condition Violation 179: no owner 179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 179: Failed Expression: dp_mol 179: **** 179: 179: [12:26:23] 179: 179: **** 179: Pre-condition Violation 179: no owner 179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 179: Failed Expression: dp_mol 179: **** 179: 179: [12:26:23] 179: 179: **** 179: Pre-condition Violation 179: no owner 179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 179: Failed Expression: dp_mol 179: **** 179: 179: [12:26:23] 179: 179: **** 179: Pre-condition Violation 179: no owner 179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 179: Failed Expression: dp_mol 179: **** 179: 179: [12:26:23] 179: 179: **** 179: Pre-condition Violation 179: no owner 179: Violation occurred on line 138 in file ./Code/GraphMol/Atom.h 179: Failed Expression: dp_mol 179: **** 179: 179: .....[12:26:23] 179: 179: **** 179: Range Error 179: atomIdx1 179: Violation occurred on line 377 in file ./Code/GraphMol/RWMol.cpp 179: Failed Expression: 0 < 0 179: **** 179: 213: .. 213: ---------------------------------------------------------------------- 213: Ran 2 tests in 0.001s 213: 213: OK 213: Testing ChemicalFeatures Wrapper code: 179: ......[12:26:23] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 179: [12:26:23] ERROR: Smiles parse error on line 0 179: [12:26:23] ERROR: Cannot create molecule from : 'c1ccccc' 179: [12:26:23] SMILES Parse Error: extra open parentheses for input: 'C(C' 179: [12:26:23] ERROR: Smiles parse error on line 3 179: [12:26:23] ERROR: Cannot create molecule from : 'C(C' 179: [12:26:23] Explicit valence for atom # 1 C, 5, is greater than permitted 179: [12:26:23] ERROR: Could not sanitize molecule on line 6 179: [12:26:23] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted 179: [12:26:23] SMILES Parse Error: unclosed ring for input: 'c1ccccc' 179: [12:26:23] ERROR: Smiles parse error on line 0 179: [12:26:23] ERROR: Cannot create molecule from : 'c1ccccc' 179: [12:26:23] SMILES Parse Error: extra open parentheses for input: 'C(C' 179: [12:26:23] ERROR: Smiles parse error on line 3 179: [12:26:23] ERROR: Cannot create molecule from : 'C(C' 179: [12:26:23] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC' 179: [12:26:23] ERROR: Smiles parse error on line 6 179: [12:26:23] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC' 179: [12:26:23] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:23] ERROR: Could not sanitize molecule ending on line 21 179: [12:26:23] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:23] ERROR: EOF hit while reading atoms 179: [12:26:23] ERROR: moving to the beginning of the next molecule 179: [12:26:23] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:23] ERROR: Could not sanitize molecule ending on line 21 179: [12:26:23] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:23] ERROR: EOF hit while reading atoms 179: [12:26:23] ERROR: moving to the beginning of the next molecule 179: ....[12:26:23] 179: 179: **** 179: Pre-condition Violation 179: RingInfo not initialized 179: Violation occurred on line 170 in file ./Code/GraphMol/RingInfo.cpp 179: Failed Expression: df_init 179: **** 179: 179: ..........[12:26:23] 179: 179: **** 179: Range Error 179: idx 179: Violation occurred on line 213 in file ./Code/GraphMol/ROMol.cpp 179: Failed Expression: 3 < 1 179: **** 179: 179: ..[12:26:23] Can't kekulize mol. Unkekulized atoms: 0 1 2 3 4 207: ..... 207: ---------------------------------------------------------------------- 207: Ran 5 tests in 1.410s 207: 207: OK 203/222 Test #213: pyFeatures ............................. Passed 1.03 sec test 215 Start 215: pythonTestDirRoot 215: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit" 215: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 215: Test timeout computed to be: 1500 179: ..........................[12:26:23] SMILES Parse Error: unclosed ring for input: 'C1CC' 204/222 Test #207: pyMatCalc .............................. Passed 2.54 sec test 216 Start 216: pythonTestDirML 216: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/ML/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/ML" 216: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 216: Test timeout computed to be: 1500 179: ......[12:26:23] WARNING: not removing hydrogen atom without neighbors 179: [12:26:23] WARNING: not removing hydrogen atom with dummy atom neighbors 179: [12:26:23] WARNING: not removing hydrogen atom with wedged bond 179: [12:26:23] WARNING: not removing hydrogen atom without neighbors 179: [12:26:23] WARNING: not removing hydrogen atom with dummy atom neighbors 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:21: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML import BuildComposite 179: .....[12:26:24] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:24] Can't kekulize mol. Unkekulized atoms: 0 1 2 179: .[12:26:24] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:24] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:24] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:24] Explicit valence for atom # 1 F, 2, is greater than permitted 179: [12:26:24] Can't kekulize mol. Unkekulized atoms: 0 1 2 179: [12:26:24] Can't kekulize mol. Unkekulized atoms: 0 1 2 179: [12:26:24] Can't kekulize mol. Unkekulized atoms: 0 1 2 179: ..........[12:26:24] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 179: [12:26:24] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 179: .[12:26:24] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname' 179: ..[12:26:24] SMILES Parse Error: syntax error while parsing: error 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error' 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd' 179: [12:26:24] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error' 179: [12:26:24] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd' 179: ................[12:26:24] SMILES Parse Error: syntax error while parsing: garbage_0 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0' 179: [12:26:24] SMILES Parse Error: syntax error while parsing: garbage_2 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2' 179: [12:26:24] SMILES Parse Error: syntax error while parsing: garbage_4 179: [12:26:24] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4' 179: .......... 179: ---------------------------------------------------------------------- 179: Ran 248 tests in 24.541s 179: 179: OK 179: 151 179: supplier: 179: supplier: 179: supplier: 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:83: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: refCompos = pickle.load(pklF) 205/222 Test #179: pyGraphMolWrap ......................... Passed 25.86 sec test 217 Start 217: pythonTestDirDataStructs 217: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/DataStructs" 217: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 217: Test timeout computed to be: 1500 215: ......................... 215: ---------------------------------------------------------------------- 215: Ran 25 tests in 1.202s 215: 215: OK 206/222 Test #215: pythonTestDirRoot ...................... Passed 2.02 sec test 218 Start 218: pythonTestDirDbase 218: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Dbase" 218: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 218: Test timeout computed to be: 1500 216: ...../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestBuildComposite.py:198: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: refCompos = pickle.load(pklFile) 216: . 216: ---------------------------------------------------------------------- 216: Ran 6 tests in 1.201s 216: 216: OK 210: ....... 210: ---------------------------------------------------------------------- 210: Ran 11 tests in 3.903s 210: 210: OK 218: .. 218: ---------------------------------------------------------------------- 218: Ran 2 tests in 0.061s 218: 218: OK 217: ....... 217: ---------------------------------------------------------------------- 217: Ran 7 tests in 0.056s 217: 217: OK 207/222 Test #210: pySimDivPickers ........................ Passed 5.12 sec test 219 Start 219: pythonTestDirSimDivFilters 219: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/SimDivFilters" 219: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 219: Test timeout computed to be: 1500 214: [12:26:26] INFO: Reading molecules and constructing molecular database. 214: 214: [12:26:26] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:26:26] INFO: Processing 10 molecules 214: 214: [12:26:26] INFO: Generating fingerprints and descriptors: 214: 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:20: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML import ScreenComposite 218: ........... 218: ---------------------------------------------------------------------- 218: Ran 11 tests in 0.064s 218: 218: OK 214: [12:26:26] INFO: Finished. 214: 218: . 218: ---------------------------------------------------------------------- 218: Ran 1 test in 0.017s 218: 218: OK 217: .................................. 217: ---------------------------------------------------------------------- 217: Ran 34 tests in 0.016s 217: 217: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:276: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: compos = pickle.load(pklF) 216: ../build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestScreenComposite.py:330: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: compos = pickle.load(pklF) 216: .......... 216: ---------------------------------------------------------------------- 216: Ran 12 tests in 0.401s 216: 216: OK 218: ............... 218: ---------------------------------------------------------------------- 218: Ran 15 tests in 0.050s 218: 218: OK 208/222 Test #219: pythonTestDirSimDivFilters ............. Passed 1.61 sec test 220 Start 220: pythonTestDirVLib 220: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/VLib/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/VLib" 220: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 220: Test timeout computed to be: 1500 217: ..... 217: ---------------------------------------------------------------------- 217: Ran 5 tests in 0.020s 217: 217: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML import AnalyzeComposite 218: ...... 218: ---------------------------------------------------------------------- 218: Ran 6 tests in 0.003s 218: 218: OK 209/222 Test #218: pythonTestDirDbase ..................... Passed 3.21 sec test 221 Start 221: pythonTestSping 221: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/sping" 221: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit 221: Test timeout computed to be: 1500 220: ............. 220: ---------------------------------------------------------------------- 220: Ran 13 tests in 0.044s 220: 220: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/UnitTestAnalyzeComposite.py:31: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: c1 = pickle.load(pklF) 216: . 216: ---------------------------------------------------------------------- 216: Ran 1 test in 0.131s 216: 216: OK 217: ....... 217: ---------------------------------------------------------------------- 217: Ran 7 tests in 0.001s 217: 217: OK 214: [12:26:29] INFO: Reading molecules and constructing molecular database. 214: 214: [12:26:29] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:26:29] INFO: Processing 163 molecules 214: 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 210/222 Test #217: pythonTestDirDataStructs ............... Passed 5.08 sec test 222 Start 222: pythonTestDirChem 222: Test command: /usr/bin/python3.11 "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/test_list.py" "--testDir" "/build/reproducible-path/rdkit-202309.3/rdkit/Chem" "--buildType" "None" 222: Working Directory: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem 222: Test timeout computed to be: 1500 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:29] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] INFO: done 100 214: 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:30] INFO: Generating fingerprints and descriptors: 214: 220: ........... 220: ---------------------------------------------------------------------- 220: Ran 11 tests in 0.192s 220: 220: OK 169: ............. 169: ---------------------------------------------------------------------- 169: Ran 19 tests in 40.993s 169: 169: OK 169: Testing atom rings 169: testing bond rings 169: searching atom rings 169: searching bond rings 169: done 216: ... 216: ---------------------------------------------------------------------- 216: Ran 3 tests in 0.001s 216: 216: OK 211/222 Test #169: pySubstructLibrary ..................... Passed 42.38 sec 212/222 Test #220: pythonTestDirVLib ...................... Passed 2.94 sec 221: .. 221: ---------------------------------------------------------------------- 221: Ran 2 tests in 0.781s 221: 221: OK 213/222 Test #221: pythonTestSping ........................ Passed 3.07 sec 216: ........ 216: ---------------------------------------------------------------------- 216: Ran 8 tests in 0.000s 216: 216: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.Composite import Composite 222: ....... 222: ---------------------------------------------------------------------- 222: Ran 7 tests in 0.315s 222: 222: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Composite/UnitTestComposite.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree.DecTree import DecTreeNode as Node 29: [12:26:33] Finished 29: [12:26:33] ------------------------------------- 29: [12:26:33] Test github1843: RWMol.clear() should not destroy ring pointer. 29: [12:26:33] Finished 214/222 Test #29: graphmolTest1 .......................... Passed 99.70 sec 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 0.895s 216: 216: OK 222: ...... 222: ---------------------------------------------------------------------- 222: Ran 6 tests in 0.096s 222: 222: OK 222: ....[12:26:34] 222: 222: **** 222: Pre-condition Violation 222: valence not defined for atoms not associated with molecules 222: Violation occurred on line 411 in file ./Code/GraphMol/Atom.cpp 222: Failed Expression: dp_mol 222: **** 222: 222: . 222: ---------------------------------------------------------------------- 222: Ran 5 tests in 0.034s 222: 222: OK 216: ..... 216: ---------------------------------------------------------------------- 216: Ran 5 tests in 0.001s 216: 216: OK 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.023s 222: 222: OK 216: ......... 216: ---------------------------------------------------------------------- 216: Ran 9 tests in 0.002s 216: 216: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.035s 222: 222: OK 216: ............ 216: ---------------------------------------------------------------------- 216: Ran 12 tests in 0.001s 216: 216: OK 222: ...................... 222: ---------------------------------------------------------------------- 222: Ran 22 tests in 0.083s 222: 222: OK 216: ..... 216: ---------------------------------------------------------------------- 216: Ran 5 tests in 0.051s 216: 216: OK 222: .....s.................ss 222: ---------------------------------------------------------------------- 222: Ran 25 tests in 0.399s 222: 222: OK (skipped=3) 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTreeUtils.py:8: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import TreeUtils 216: . 216: ---------------------------------------------------------------------- 216: Ran 1 test in 0.017s 216: 216: OK 222: ..s 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.290s 222: 222: OK (skipped=1) 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestTree.py:13: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import Tree 216: ...... 216: ---------------------------------------------------------------------- 216: Ran 6 tests in 0.001s 216: 216: OK 214: [12:26:40] INFO: Finished. 214: 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestXVal.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import CrossValidate, randomtest 222: ................................... 222: ---------------------------------------------------------------------- 222: Ran 35 tests in 1.110s 222: 222: OK 214: .[12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 1.523s 216: 216: OK 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.059s 222: 222: OK 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:43] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:44] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestID3.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import ID3 216: ...... 216: ---------------------------------------------------------------------- 216: Ran 6 tests in 0.055s 216: 216: OK 222: . 222: ---------------------------------------------------------------------- 222: Ran 1 test in 0.024s 222: 222: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestPrune.py:9: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import ID3, CrossValidate, PruneTree 216: .. 216: ---------------------------------------------------------------------- 216: Ran 2 tests in 0.399s 216: 216: OK 214: .[12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:45] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: ....... 222: ---------------------------------------------------------------------- 222: Ran 7 tests in 0.113s 222: 222: OK 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:46] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestQuantTree.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree import BuildQuantTree 216: .......... 216: ---------------------------------------------------------------------- 216: Ran 10 tests in 0.040s 216: 216: OK 222: ... 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.087s 222: 222: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/DecTree/UnitTestSigTree.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.DecTree.BuildSigTree import BuildSigTree, _GenerateRandomEnsemble 216: ..... 216: ---------------------------------------------------------------------- 216: Ran 5 tests in 0.237s 216: 216: OK 214: .[12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: .. 216: ---------------------------------------------------------------------- 216: Ran 2 tests in 0.002s 216: 216: OK 156: Timed out after 71 seconds. 133: [12:26:49] UFFTYPER: Unrecognized atom type: S_6+6 (0) 133: [12:26:49] UFFTYPER: Warning: hybridization set to SP3 for atom 0 133: [12:26:49] UFFTYPER: Unrecognized charge state for atom: 0 216: ..... 216: ---------------------------------------------------------------------- 216: Ran 5 tests in 0.041s 216: 216: OK 222: .ss.ss....... 222: ---------------------------------------------------------------------- 222: Ran 13 tests in 2.871s 222: 222: OK (skipped=4) 216: ... 216: ---------------------------------------------------------------------- 216: Ran 3 tests in 0.039s 216: 216: OK 133: =============================================================================== 133: All tests passed (448 assertions in 10 test cases) 133: 215/222 Test #133: distGeomHelpersCatch ................... Passed 104.45 sec 222: [12:26:52] Molecule does not have explicit Hs. Consider calling AddHs() 222: .[12:26:52] Molecule does not have explicit Hs. Consider calling AddHs() 216: ... 216: ---------------------------------------------------------------------- 216: Ran 3 tests in 1.006s 216: 216: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/KNN/UnitTestKNN.py:11: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.KNN import (CrossValidate, DistFunctions, KNNModel, 216: ...... 216: ---------------------------------------------------------------------- 216: Ran 6 tests in 0.963s 216: 216: OK 214: ....[12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:15: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.Composite import Composite 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:19: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.ModelPackage import Packager, PackageUtils 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/ModelPackage/UnitTestPackage.py:72: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: model = pickle.load(modelF) 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: ....... 216: ---------------------------------------------------------------------- 216: Ran 7 tests in 0.321s 216: 216: OK 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:57] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/NaiveBayes/UnitTestNB.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.NaiveBayes import CrossValidate 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 0.018s 216: 216: OK 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:58] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestTrainer.py:14: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.Neural import Network, Trainers 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:26:59] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: .[12:27:03] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 216: ..... 216: ---------------------------------------------------------------------- 216: Ran 5 tests in 4.729s 216: 216: OK 216: /build/reproducible-path/rdkit-202309.3/rdkit/ML/Neural/UnitTestOther.py:12: DeprecationWarning: This module is deprecated and will be removed in the 2024.03 release 216: from rdkit.ML.Neural.ActFuncs import Sigmoid, TanH 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 0.006s 216: 216: OK 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 0.000s 216: 216: OK 214: .[12:27:06] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:06] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:06] INFO: Processing 10 molecules 214: 214: [12:27:06] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:06] INFO: Finished. 214: 216: .... 216: ---------------------------------------------------------------------- 216: Ran 4 tests in 0.011s 216: 216: OK 216/222 Test #216: pythonTestDirML ........................ Passed 43.14 sec 214: [12:27:08] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:08] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:08] INFO: Processing 10 molecules 214: 214: [12:27:08] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:08] INFO: Finished. 214: 214: [12:27:11] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:11] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:11] INFO: Processing 10 molecules 214: 214: [12:27:11] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:11] INFO: Finished. 214: 214: [12:27:13] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:13] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:13] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:13] INFO: Finished. 214: 214: [12:27:16] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:16] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:16] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:16] INFO: Finished. 214: 214: .[12:27:18] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong. 214: 214: [12:27:18] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:18] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:18] INFO: Processing 163 molecules 214: 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] INFO: done 100 214: 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:19] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:19] INFO: Finished. 214: 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: [12:27:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 214: .[12:27:22] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:22] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:22] INFO: Processing 10 molecules 214: 214: [12:27:22] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:22] INFO: Finished. 214: 214: [12:27:23] INFO: Reading molecules and constructing molecular database. 214: 214: [12:27:23] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 214: 214: [12:27:23] INFO: Processing 10 molecules 214: 214: [12:27:23] INFO: Generating fingerprints and descriptors: 214: 214: [12:27:23] INFO: Finished. 214: 214: . 214: ---------------------------------------------------------------------- 214: Ran 12 tests in 60.395s 214: 214: OK 217/222 Test #214: pythonTestDbCLI ........................ Passed 61.20 sec 157: =============================================================================== 157: All tests passed (93 assertions in 5 test cases) 157: 218/222 Test #157: testRascalCluster ...................... Passed 118.38 sec 132: [12:27:36] done 132: CNC[C@H]1CC[C@H](C[NH3+])CC1 132: C1=NC[C@]2(CN3CC[C@@H]2C3)O1 132: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2 132: O=C(CCc1ccccc1)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@H]12 132: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21 132: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 132: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 132: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 132: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O 132: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC 132: CCCCC[C@@H](O)/C=C/[C@@]1(F)[C@H](C/C=C\CCCC(=O)OC)[C@H](O)C[C@@H]1O 132: CNC(=O)Oc1cccc2c1OC[C@@H]1CCN(C)[C@H]21 132: CNC(=O)Oc1ccc2c(c1)[C@@H]1[C@@H](CCN1C)CO2 132: CN1CC[C@H]2COc3c(O)cccc3[C@H]21 132: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2 132: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1 132: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O 132: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O 156: =============================================================================== 156: All tests passed (2552 assertions in 23 test cases) 156: 219/222 Test #156: testRascalMCES ......................... Passed 156.72 sec 132: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O 132: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 132: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 132: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2 222: ....................[12:28:10] WARNING: More than one matching pattern found - picking one 222: 222: [12:28:10] WARNING: More than one matching pattern found - picking one 222: 222: .[12:28:10] WARNING: More than one matching pattern found - picking one 222: 132: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5 132: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1 132: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1 132: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1 132: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13 222: ... 222: ---------------------------------------------------------------------- 222: Ran 25 tests in 83.227s 222: 222: OK 222: {'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'} 222: {'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'} 222: {'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl'} 222: !!!! ['C[C@H]([C@H](C)Br)[C@@H](C)F', 'C[C@@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)Br)[C@@H](C)F', 'C[C@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)F)[C@H](C)Br', 'C[C@@H]([C@H](C)F)[C@@H](C)Br', 'C[C@H]([C@H](C)F)[C@H](C)Br', 'C[C@H]([C@H](C)F)[C@@H](C)Br'] 222: ........ 222: ---------------------------------------------------------------------- 222: Ran 8 tests in 0.141s 222: 222: OK 222: .[12:28:16] Molecule does not have explicit Hs. Consider calling AddHs() 132: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12 132: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-] 132: [12:28:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 132: [12:28:20] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: F....[12:28:23] WARNING: not removing hydrogen atom without neighbors 222: [12:28:23] WARNING: not removing hydrogen atom without neighbors 222: [12:28:23] WARNING: not removing hydrogen atom without neighbors 222: ....[12:28:23] WARNING: not removing hydrogen atom without neighbors 222: ...... 222: ====================================================================== 222: FAIL: testGet3DMolDescriptors (__main__.TestCase.testGet3DMolDescriptors) 222: ---------------------------------------------------------------------- 222: Traceback (most recent call last): 222: File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestDescriptors.py", line 216, in testGet3DMolDescriptors 222: self.assertEqual(descs['PMI1'], 20.954531335493417) 222: AssertionError: 20.954531335493083 != 20.954531335493417 222: 222: ---------------------------------------------------------------------- 222: Ran 16 tests in 6.462s 222: 222: FAILED (failures=1) 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 2.245s 222: 222: OK 222: ...... 222: ---------------------------------------------------------------------- 222: Ran 6 tests in 0.667s 222: 222: OK 222: ......./build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. 222: for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] 132: [12:28:33] Molecule does not have explicit Hs. Consider calling AddHs() 220/222 Test #132: testDistGeomHelpers .................... Passed 205.69 sec 222: ./build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. 222: for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] 222: ...../build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. 222: for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] 222: /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. 222: for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] 222: ..s..s......... 222: ---------------------------------------------------------------------- 222: Ran 28 tests in 5.192s 222: 222: OK (skipped=2) 222: ..............[12:28:50] WARNING: More than one matching pattern found - picking one 222: 222: [12:28:50] WARNING: More than one matching pattern found - picking one 222: 222: ..[12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() 222: [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() 222: [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() 222: [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() 222: ......... 222: ---------------------------------------------------------------------- 222: Ran 25 tests in 14.261s 222: 222: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.099s 222: 222: OK 222: ..s... 222: ---------------------------------------------------------------------- 222: Ran 6 tests in 1.455s 222: 222: OK (skipped=1) 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.046s 222: 222: OK 222: .............. 222: ---------------------------------------------------------------------- 222: Ran 14 tests in 7.287s 222: 222: OK 222: ..[12:29:16] WARNING: not removing hydrogen atom without neighbors 222: .[12:29:16] WARNING: not removing hydrogen atom without neighbors 222: .[12:29:16] WARNING: no name column found on line 1 222: [12:29:16] WARNING: no name column found on line 2 222: [12:29:16] WARNING: no name column found on line 3 222: [12:29:16] WARNING: no name column found on line 4 222: [12:29:16] WARNING: no name column found on line 5 222: [12:29:16] WARNING: no name column found on line 6 222: [12:29:16] WARNING: no name column found on line 7 222: [12:29:16] WARNING: no name column found on line 8 222: [12:29:16] WARNING: no name column found on line 9 222: [12:29:16] WARNING: no name column found on line 10 222: [12:29:16] WARNING: no name column found on line 11 222: [12:29:16] WARNING: no name column found on line 12 222: [12:29:16] WARNING: no name column found on line 13 222: [12:29:16] WARNING: no name column found on line 14 222: [12:29:16] WARNING: no name column found on line 15 222: [12:29:16] WARNING: no name column found on line 16 222: [12:29:16] WARNING: no name column found on line 17 222: [12:29:16] WARNING: no name column found on line 18 222: [12:29:16] WARNING: no name column found on line 19 222: [12:29:16] WARNING: no name column found on line 20 222: [12:29:16] WARNING: no name column found on line 21 222: [12:29:16] WARNING: no name column found on line 22 222: [12:29:16] WARNING: no name column found on line 23 222: [12:29:16] WARNING: no name column found on line 24 222: [12:29:16] WARNING: no name column found on line 25 222: [12:29:16] WARNING: no name column found on line 26 222: [12:29:16] WARNING: no name column found on line 27 222: [12:29:16] WARNING: no name column found on line 28 222: [12:29:16] WARNING: no name column found on line 29 222: [12:29:16] WARNING: no name column found on line 30 222: [12:29:16] WARNING: no name column found on line 31 222: [12:29:16] WARNING: no name column found on line 32 222: [12:29:16] WARNING: no name column found on line 33 222: [12:29:16] WARNING: no name column found on line 34 222: [12:29:16] WARNING: no name column found on line 35 222: [12:29:16] WARNING: no name column found on line 36 222: [12:29:16] WARNING: no name column found on line 37 222: [12:29:16] WARNING: no name column found on line 38 222: [12:29:16] WARNING: no name column found on line 39 222: [12:29:16] WARNING: no name column found on line 40 222: [12:29:16] WARNING: no name column found on line 41 222: [12:29:16] WARNING: no name column found on line 42 222: [12:29:16] WARNING: no name column found on line 43 222: [12:29:16] WARNING: no name column found on line 44 222: [12:29:16] WARNING: no name column found on line 45 222: [12:29:16] WARNING: no name column found on line 46 222: [12:29:16] WARNING: no name column found on line 47 222: [12:29:16] WARNING: no name column found on line 48 222: [12:29:16] WARNING: no name column found on line 49 222: [12:29:16] WARNING: no name column found on line 50 222: [12:29:16] WARNING: no name column found on line 51 222: [12:29:16] WARNING: no name column found on line 52 222: [12:29:16] WARNING: no name column found on line 53 222: [12:29:16] WARNING: no name column found on line 54 222: [12:29:16] WARNING: no name column found on line 55 222: [12:29:16] WARNING: no name column found on line 56 222: [12:29:16] WARNING: no name column found on line 57 222: [12:29:16] WARNING: no name column found on line 58 222: [12:29:16] WARNING: no name column found on line 59 222: [12:29:16] WARNING: no name column found on line 60 222: [12:29:16] WARNING: no name column found on line 61 222: [12:29:16] WARNING: no name column found on line 62 222: [12:29:16] WARNING: no name column found on line 63 222: [12:29:16] WARNING: no name column found on line 64 222: [12:29:16] WARNING: no name column found on line 65 222: [12:29:16] WARNING: no name column found on line 66 222: [12:29:16] WARNING: no name column found on line 67 222: [12:29:16] WARNING: no name column found on line 68 222: [12:29:16] WARNING: no name column found on line 69 222: [12:29:16] WARNING: no name column found on line 70 222: [12:29:16] WARNING: no name column found on line 71 222: [12:29:16] WARNING: no name column found on line 72 222: [12:29:16] WARNING: no name column found on line 73 222: [12:29:16] WARNING: no name column found on line 74 222: [12:29:16] WARNING: no name column found on line 75 222: [12:29:16] WARNING: no name column found on line 76 222: [12:29:16] WARNING: no name column found on line 77 222: [12:29:16] WARNING: no name column found on line 78 222: [12:29:16] WARNING: no name column found on line 79 222: [12:29:16] WARNING: no name column found on line 80 222: [12:29:16] WARNING: no name column found on line 81 222: [12:29:16] WARNING: no name column found on line 82 222: [12:29:16] WARNING: no name column found on line 83 222: [12:29:16] WARNING: no name column found on line 84 222: [12:29:16] WARNING: no name column found on line 85 222: [12:29:16] WARNING: no name column found on line 86 222: [12:29:16] WARNING: no name column found on line 87 222: [12:29:16] WARNING: no name column found on line 88 222: [12:29:16] WARNING: no name column found on line 89 222: [12:29:16] WARNING: no name column found on line 90 222: [12:29:16] WARNING: no name column found on line 91 222: [12:29:16] WARNING: no name column found on line 92 222: [12:29:16] WARNING: no name column found on line 93 222: [12:29:16] WARNING: no name column found on line 94 222: [12:29:16] WARNING: no name column found on line 95 222: [12:29:16] WARNING: no name column found on line 96 222: [12:29:16] WARNING: no name column found on line 97 222: [12:29:16] WARNING: no name column found on line 98 222: [12:29:16] WARNING: no name column found on line 99 222: [12:29:16] WARNING: no name column found on line 100 222: [12:29:16] WARNING: no name column found on line 101 222: [12:29:16] WARNING: no name column found on line 102 222: [12:29:16] WARNING: no name column found on line 103 222: [12:29:16] WARNING: no name column found on line 104 222: [12:29:16] WARNING: no name column found on line 105 222: [12:29:16] WARNING: no name column found on line 106 222: [12:29:16] WARNING: no name column found on line 107 222: [12:29:16] WARNING: no name column found on line 108 222: [12:29:16] WARNING: no name column found on line 109 222: [12:29:16] WARNING: no name column found on line 110 222: [12:29:16] WARNING: no name column found on line 111 222: [12:29:16] WARNING: no name column found on line 112 222: [12:29:16] WARNING: no name column found on line 113 222: [12:29:16] WARNING: no name column found on line 114 222: [12:29:16] WARNING: no name column found on line 115 222: [12:29:16] WARNING: no name column found on line 116 222: [12:29:16] WARNING: no name column found on line 117 222: [12:29:16] WARNING: no name column found on line 118 222: [12:29:16] WARNING: no name column found on line 119 222: [12:29:16] WARNING: no name column found on line 120 222: [12:29:16] WARNING: no name column found on line 121 222: [12:29:16] WARNING: no name column found on line 122 222: [12:29:16] WARNING: no name column found on line 123 222: [12:29:16] WARNING: no name column found on line 124 222: [12:29:16] WARNING: no name column found on line 125 222: [12:29:16] WARNING: no name column found on line 126 222: [12:29:16] WARNING: no name column found on line 127 222: [12:29:16] WARNING: no name column found on line 128 222: [12:29:16] WARNING: no name column found on line 129 222: [12:29:16] WARNING: no name column found on line 130 222: [12:29:16] WARNING: no name column found on line 131 222: [12:29:16] WARNING: no name column found on line 132 222: [12:29:16] WARNING: no name column found on line 133 222: [12:29:16] WARNING: no name column found on line 134 222: [12:29:16] WARNING: no name column found on line 135 222: [12:29:16] WARNING: no name column found on line 136 222: [12:29:16] WARNING: no name column found on line 137 222: [12:29:16] WARNING: no name column found on line 138 222: [12:29:16] WARNING: no name column found on line 139 222: [12:29:16] WARNING: no name column found on line 140 222: [12:29:16] WARNING: no name column found on line 141 222: [12:29:16] WARNING: no name column found on line 142 222: [12:29:16] WARNING: no name column found on line 143 222: [12:29:16] WARNING: no name column found on line 144 222: [12:29:16] WARNING: no name column found on line 145 222: [12:29:16] WARNING: no name column found on line 146 222: [12:29:16] WARNING: no name column found on line 147 222: [12:29:16] WARNING: no name column found on line 148 222: [12:29:16] WARNING: no name column found on line 149 222: [12:29:16] WARNING: no name column found on line 150 222: [12:29:16] WARNING: no name column found on line 151 222: [12:29:16] WARNING: no name column found on line 152 222: [12:29:16] WARNING: no name column found on line 153 222: [12:29:16] WARNING: no name column found on line 154 222: [12:29:16] WARNING: no name column found on line 155 222: [12:29:16] WARNING: no name column found on line 156 222: [12:29:16] WARNING: no name column found on line 157 222: [12:29:16] WARNING: no name column found on line 158 222: [12:29:16] WARNING: no name column found on line 159 222: [12:29:16] WARNING: no name column found on line 160 222: [12:29:16] WARNING: no name column found on line 161 222: [12:29:16] WARNING: no name column found on line 162 222: [12:29:16] WARNING: no name column found on line 163 222: [12:29:16] WARNING: no name column found on line 164 222: [12:29:16] WARNING: no name column found on line 165 222: [12:29:16] WARNING: no name column found on line 166 222: [12:29:16] WARNING: no name column found on line 167 222: [12:29:16] WARNING: no name column found on line 168 222: [12:29:16] WARNING: no name column found on line 169 222: [12:29:16] WARNING: no name column found on line 170 222: [12:29:16] WARNING: no name column found on line 171 222: [12:29:16] WARNING: no name column found on line 172 222: [12:29:16] WARNING: no name column found on line 173 222: [12:29:16] WARNING: no name column found on line 174 222: [12:29:16] WARNING: no name column found on line 175 222: [12:29:16] WARNING: no name column found on line 176 222: [12:29:16] WARNING: no name column found on line 177 222: [12:29:16] WARNING: no name column found on line 178 222: [12:29:16] WARNING: no name column found on line 179 222: [12:29:16] WARNING: no name column found on line 180 222: [12:29:16] WARNING: no name column found on line 181 222: [12:29:16] WARNING: no name column found on line 182 222: [12:29:16] WARNING: no name column found on line 183 222: [12:29:16] WARNING: no name column found on line 184 222: [12:29:16] WARNING: no name column found on line 185 222: [12:29:16] WARNING: no name column found on line 186 222: [12:29:16] WARNING: no name column found on line 187 222: [12:29:16] WARNING: no name column found on line 188 222: [12:29:16] WARNING: no name column found on line 189 222: [12:29:16] WARNING: no name column found on line 190 222: [12:29:16] WARNING: no name column found on line 191 222: [12:29:16] WARNING: no name column found on line 192 222: [12:29:16] WARNING: no name column found on line 193 222: [12:29:16] WARNING: no name column found on line 194 222: [12:29:16] WARNING: no name column found on line 195 222: [12:29:16] WARNING: no name column found on line 196 222: [12:29:16] WARNING: no name column found on line 197 222: [12:29:16] WARNING: no name column found on line 198 222: [12:29:16] WARNING: no name column found on line 199 222: [12:29:16] WARNING: no name column found on line 200 222: [12:29:16] WARNING: no name column found on line 201 222: [12:29:16] WARNING: no name column found on line 202 222: [12:29:16] WARNING: no name column found on line 203 222: [12:29:16] WARNING: no name column found on line 204 222: [12:29:16] WARNING: no name column found on line 205 222: [12:29:16] WARNING: no name column found on line 206 222: [12:29:16] WARNING: no name column found on line 207 222: [12:29:16] WARNING: no name column found on line 208 222: [12:29:16] WARNING: no name column found on line 209 222: [12:29:16] WARNING: no name column found on line 210 222: [12:29:16] WARNING: no name column found on line 211 222: [12:29:16] WARNING: no name column found on line 212 222: [12:29:16] WARNING: no name column found on line 213 222: [12:29:16] WARNING: no name column found on line 214 222: [12:29:16] WARNING: no name column found on line 215 222: [12:29:16] WARNING: no name column found on line 216 222: ...... 222: ---------------------------------------------------------------------- 222: Ran 10 tests in 0.174s 222: 222: OK 222: .................. 222: ---------------------------------------------------------------------- 222: Ran 18 tests in 1.335s 222: 222: OK 222: ... 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.177s 222: 222: OK 222: ........ 222: ---------------------------------------------------------------------- 222: Ran 8 tests in 0.062s 222: 222: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.056s 222: 222: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.039s 222: 222: OK 222: . 222: ---------------------------------------------------------------------- 222: Ran 1 test in 0.164s 222: 222: OK 222: ........ 222: ---------------------------------------------------------------------- 222: Ran 8 tests in 0.001s 222: 222: OK 222: ... 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.012s 222: 222: OK 222: ... 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.001s 222: 222: OK 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.015s 222: 222: OK 222: ....... 222: ---------------------------------------------------------------------- 222: Ran 7 tests in 0.025s 222: 222: OK 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.048s 222: 222: OK 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 6.230s 222: 222: OK 222: .......... 222: ---------------------------------------------------------------------- 222: Ran 10 tests in 0.123s 222: 222: OK 222: . 222: ---------------------------------------------------------------------- 222: Ran 1 test in 0.000s 222: 222: OK 222: .......... 222: ---------------------------------------------------------------------- 222: Ran 10 tests in 0.014s 222: 222: OK 222: ..... 222: ---------------------------------------------------------------------- 222: Ran 5 tests in 0.090s 222: 222: OK 222: .........[12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. 222: .......[12:29:56] Molecule does not have explicit Hs. Consider calling AddHs() 222: [12:29:56] Molecule does not have explicit Hs. Consider calling AddHs() 222: ..... 222: ---------------------------------------------------------------------- 222: Ran 21 tests in 12.096s 222: 222: OK 222: mol_197 222: 219.68,35.94,110.98,11.56,110.32,11.04,95.23,10.25,0.00 222: mol_223 222: 243.69,7.04,134.64,0.81,134.56,0.81,85.50,0.37,0.00 222: mol_269 222: 216.59,3.99,105.00,0.87,103.81,0.89,89.27,0.92,6.00 222: . 222: ---------------------------------------------------------------------- 222: Ran 1 test in 0.000s 222: 222: OK 222: ...[12:29:58] 222: 222: **** 222: Pre-condition Violation 222: molecule has no conformers 222: Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 222: Failed Expression: dp_mol->getNumConformers() 222: **** 222: 222: . 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.038s 222: 222: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 12.761s 222: 222: OK 222: .. 222: ---------------------------------------------------------------------- 222: Ran 2 tests in 0.120s 222: 222: OK 222: ... 222: ---------------------------------------------------------------------- 222: Ran 3 tests in 0.012s 222: 222: OK 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.030s 222: 222: OK 222: .....[12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: [12:30:16] WARNING: not removing hydrogen atom without neighbors 222: ..... 222: ---------------------------------------------------------------------- 222: Ran 10 tests in 0.710s 222: 222: OK 222: ssssss..........s/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/Draw/__init__.py:237: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually 222: warnings.warn( 222: ..... 222: ---------------------------------------------------------------------- 222: Ran 22 tests in 12.141s 222: 222: OK (skipped=7) 222: sss. 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.982s 222: 222: OK (skipped=3) 222: ssss 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.000s 222: 222: OK (skipped=4) 222: .......... 222: ---------------------------------------------------------------------- 222: Ran 10 tests in 2.225s 222: 222: OK 222: ...[12:30:41] SMARTS Parse Error: syntax error while parsing: boromicacid 222: [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' 222: [12:30:41] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide 222: [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' 222: [12:30:41] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride 222: [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' 222: [12:30:41] reaction has no reactants 222: [12:30:41] reaction has no products 222: [12:30:41] initialization failed 222: [12:30:41] reaction has no reactants 222: [12:30:41] reaction has no products 222: . 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.136s 222: 222: OK 222: ['C[C@@H](F)CN', 'C[C@@H](F)CN |a:1|', 'C[C@H](F)CN |o1:1|', 'C[C@H](F)CN |&1:1|'] 222: .... 222: ---------------------------------------------------------------------- 222: Ran 4 tests in 0.032s 222: 222: OK 222: ........................ 222: ---------------------------------------------------------------------- 222: Ran 24 tests in 0.246s 222: 222: OK 222: !!! TEST FAILURE: python UnitTestDescriptors.py {} 221/222 Test #222: pythonTestDirChem ......................***Failed 256.42 sec ....... ---------------------------------------------------------------------- Ran 7 tests in 0.315s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.096s OK ....[12:26:34] **** Pre-condition Violation valence not defined for atoms not associated with molecules Violation occurred on line 411 in file ./Code/GraphMol/Atom.cpp Failed Expression: dp_mol **** . ---------------------------------------------------------------------- Ran 5 tests in 0.034s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.023s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.035s OK ...................... ---------------------------------------------------------------------- Ran 22 tests in 0.083s OK .....s.................ss ---------------------------------------------------------------------- Ran 25 tests in 0.399s OK (skipped=3) ..s ---------------------------------------------------------------------- Ran 3 tests in 0.290s OK (skipped=1) ................................... ---------------------------------------------------------------------- Ran 35 tests in 1.110s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.059s OK . ---------------------------------------------------------------------- Ran 1 test in 0.024s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.113s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.087s OK .ss.ss....... ---------------------------------------------------------------------- Ran 13 tests in 2.871s OK (skipped=4) [12:26:52] Molecule does not have explicit Hs. Consider calling AddHs() .[12:26:52] Molecule does not have explicit Hs. Consider calling AddHs() ....................[12:28:10] WARNING: More than one matching pattern found - picking one [12:28:10] WARNING: More than one matching pattern found - picking one .[12:28:10] WARNING: More than one matching pattern found - picking one ... ---------------------------------------------------------------------- Ran 25 tests in 83.227s OK {'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'} {'C/C(F)=C\\[C@H](C)Cl', 'C/C(F)=C\\[C@@H](C)Cl', 'C/C(F)=C/[C@H](C)Cl', 'C/C(F)=C/[C@@H](C)Cl'} {'F[C@@H](Cl)[C@@H](F)Cl', 'F[C@H](Cl)[C@H](F)Cl', 'F[C@H](Cl)[C@@H](F)Cl'} !!!! ['C[C@H]([C@H](C)Br)[C@@H](C)F', 'C[C@@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)Br)[C@@H](C)F', 'C[C@H]([C@@H](C)F)[C@@H](C)Br', 'C[C@@H]([C@H](C)F)[C@H](C)Br', 'C[C@@H]([C@H](C)F)[C@@H](C)Br', 'C[C@H]([C@H](C)F)[C@H](C)Br', 'C[C@H]([C@H](C)F)[C@@H](C)Br'] ........ ---------------------------------------------------------------------- Ran 8 tests in 0.141s OK .[12:28:16] Molecule does not have explicit Hs. Consider calling AddHs() F....[12:28:23] WARNING: not removing hydrogen atom without neighbors [12:28:23] WARNING: not removing hydrogen atom without neighbors [12:28:23] WARNING: not removing hydrogen atom without neighbors ....[12:28:23] WARNING: not removing hydrogen atom without neighbors ...... ====================================================================== FAIL: testGet3DMolDescriptors (__main__.TestCase.testGet3DMolDescriptors) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/rdkit-202309.3/rdkit/Chem/UnitTestDescriptors.py", line 216, in testGet3DMolDescriptors self.assertEqual(descs['PMI1'], 20.954531335493417) AssertionError: 20.954531335493083 != 20.954531335493417 ---------------------------------------------------------------------- Ran 16 tests in 6.462s FAILED (failures=1) .... ---------------------------------------------------------------------- Ran 4 tests in 2.245s OK ...... ---------------------------------------------------------------------- Ran 6 tests in 0.667s OK ......./build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] ./build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] ...../build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] /build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/PandasPatcher.py:132: FutureWarning: DataFrame.applymap has been deprecated. Use DataFrame.map instead. for col in df_subset.columns[df_subset.applymap(MolFormatter.is_mol).any()] ..s..s......... ---------------------------------------------------------------------- Ran 28 tests in 5.192s OK (skipped=2) ..............[12:28:50] WARNING: More than one matching pattern found - picking one [12:28:50] WARNING: More than one matching pattern found - picking one ..[12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() [12:28:51] Molecule does not have explicit Hs. Consider calling AddHs() ......... ---------------------------------------------------------------------- Ran 25 tests in 14.261s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.099s OK ..s... ---------------------------------------------------------------------- Ran 6 tests in 1.455s OK (skipped=1) .. ---------------------------------------------------------------------- Ran 2 tests in 0.046s OK .............. ---------------------------------------------------------------------- Ran 14 tests in 7.287s OK ..[12:29:16] WARNING: not removing hydrogen atom without neighbors .[12:29:16] WARNING: not removing hydrogen atom without neighbors .[12:29:16] WARNING: no name column found on line 1 [12:29:16] WARNING: no name column found on line 2 [12:29:16] WARNING: no name column found on line 3 [12:29:16] WARNING: no name column found on line 4 [12:29:16] WARNING: no name column found on line 5 [12:29:16] WARNING: no name column found on line 6 [12:29:16] WARNING: no name column found on line 7 [12:29:16] WARNING: no name column found on line 8 [12:29:16] WARNING: no name column found on line 9 [12:29:16] WARNING: no name column found on line 10 [12:29:16] WARNING: no name column found on line 11 [12:29:16] WARNING: no name column found on line 12 [12:29:16] WARNING: no name column found on line 13 [12:29:16] WARNING: no name column found on line 14 [12:29:16] WARNING: no name column found on line 15 [12:29:16] WARNING: no name column found on line 16 [12:29:16] WARNING: no name column found on line 17 [12:29:16] WARNING: no name column found on line 18 [12:29:16] WARNING: no name column found on line 19 [12:29:16] WARNING: no name column found on line 20 [12:29:16] WARNING: no name column found on line 21 [12:29:16] WARNING: no name column found on line 22 [12:29:16] WARNING: no name column found on line 23 [12:29:16] WARNING: no name column found on line 24 [12:29:16] WARNING: no name column found on line 25 [12:29:16] 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name column found on line 45 [12:29:16] WARNING: no name column found on line 46 [12:29:16] WARNING: no name column found on line 47 [12:29:16] WARNING: no name column found on line 48 [12:29:16] WARNING: no name column found on line 49 [12:29:16] WARNING: no name column found on line 50 [12:29:16] WARNING: no name column found on line 51 [12:29:16] WARNING: no name column found on line 52 [12:29:16] WARNING: no name column found on line 53 [12:29:16] WARNING: no name column found on line 54 [12:29:16] WARNING: no name column found on line 55 [12:29:16] WARNING: no name column found on line 56 [12:29:16] WARNING: no name column found on line 57 [12:29:16] WARNING: no name column found on line 58 [12:29:16] WARNING: no name column found on line 59 [12:29:16] WARNING: no name column found on line 60 [12:29:16] WARNING: no name column found on line 61 [12:29:16] WARNING: no name column found on line 62 [12:29:16] WARNING: no name column found on line 63 [12:29:16] WARNING: no name column found on line 64 [12:29:16] WARNING: no name column found on line 65 [12:29:16] WARNING: no name column found on line 66 [12:29:16] WARNING: no name column found on line 67 [12:29:16] WARNING: no name column found on line 68 [12:29:16] WARNING: no name column found on line 69 [12:29:16] WARNING: no name column found on line 70 [12:29:16] WARNING: no name column found on line 71 [12:29:16] WARNING: no name column found on line 72 [12:29:16] WARNING: no name column found on line 73 [12:29:16] WARNING: no name column found on line 74 [12:29:16] WARNING: no name column found on line 75 [12:29:16] WARNING: no name column found on line 76 [12:29:16] WARNING: no name column found on line 77 [12:29:16] WARNING: no name column found on line 78 [12:29:16] WARNING: no name column found on line 79 [12:29:16] WARNING: no name column found on line 80 [12:29:16] WARNING: no name column found on line 81 [12:29:16] WARNING: no name column found on line 82 [12:29:16] WARNING: no name column found on 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found on line 140 [12:29:16] WARNING: no name column found on line 141 [12:29:16] WARNING: no name column found on line 142 [12:29:16] WARNING: no name column found on line 143 [12:29:16] WARNING: no name column found on line 144 [12:29:16] WARNING: no name column found on line 145 [12:29:16] WARNING: no name column found on line 146 [12:29:16] WARNING: no name column found on line 147 [12:29:16] WARNING: no name column found on line 148 [12:29:16] WARNING: no name column found on line 149 [12:29:16] WARNING: no name column found on line 150 [12:29:16] WARNING: no name column found on line 151 [12:29:16] WARNING: no name column found on line 152 [12:29:16] WARNING: no name column found on line 153 [12:29:16] WARNING: no name column found on line 154 [12:29:16] WARNING: no name column found on line 155 [12:29:16] WARNING: no name column found on line 156 [12:29:16] WARNING: no name column found on line 157 [12:29:16] WARNING: no name column found on line 158 [12:29:16] WARNING: no name column found on line 159 [12:29:16] WARNING: no name column found on line 160 [12:29:16] WARNING: no name column found on line 161 [12:29:16] WARNING: no name column found on line 162 [12:29:16] WARNING: no name column found on line 163 [12:29:16] WARNING: no name column found on line 164 [12:29:16] WARNING: no name column found on line 165 [12:29:16] WARNING: no name column found on line 166 [12:29:16] WARNING: no name column found on line 167 [12:29:16] WARNING: no name column found on line 168 [12:29:16] WARNING: no name column found on line 169 [12:29:16] WARNING: no name column found on line 170 [12:29:16] WARNING: no name column found on line 171 [12:29:16] WARNING: no name column found on line 172 [12:29:16] WARNING: no name column found on line 173 [12:29:16] WARNING: no name column found on line 174 [12:29:16] WARNING: no name column found on line 175 [12:29:16] WARNING: no name column found on line 176 [12:29:16] WARNING: no name column found on line 177 [12:29:16] WARNING: no name column found on line 178 [12:29:16] WARNING: no name column found on line 179 [12:29:16] WARNING: no name column found on line 180 [12:29:16] WARNING: no name column found on line 181 [12:29:16] WARNING: no name column found on line 182 [12:29:16] WARNING: no name column found on line 183 [12:29:16] WARNING: no name column found on line 184 [12:29:16] WARNING: no name column found on line 185 [12:29:16] WARNING: no name column found on line 186 [12:29:16] WARNING: no name column found on line 187 [12:29:16] WARNING: no name column found on line 188 [12:29:16] WARNING: no name column found on line 189 [12:29:16] WARNING: no name column found on line 190 [12:29:16] WARNING: no name column found on line 191 [12:29:16] WARNING: no name column found on line 192 [12:29:16] WARNING: no name column found on line 193 [12:29:16] WARNING: no name column found on line 194 [12:29:16] WARNING: no name column found on line 195 [12:29:16] WARNING: no name column found on line 196 [12:29:16] WARNING: no name column found on line 197 [12:29:16] WARNING: no name column found on line 198 [12:29:16] WARNING: no name column found on line 199 [12:29:16] WARNING: no name column found on line 200 [12:29:16] WARNING: no name column found on line 201 [12:29:16] WARNING: no name column found on line 202 [12:29:16] WARNING: no name column found on line 203 [12:29:16] WARNING: no name column found on line 204 [12:29:16] WARNING: no name column found on line 205 [12:29:16] WARNING: no name column found on line 206 [12:29:16] WARNING: no name column found on line 207 [12:29:16] WARNING: no name column found on line 208 [12:29:16] WARNING: no name column found on line 209 [12:29:16] WARNING: no name column found on line 210 [12:29:16] WARNING: no name column found on line 211 [12:29:16] WARNING: no name column found on line 212 [12:29:16] WARNING: no name column found on line 213 [12:29:16] WARNING: no name column found on line 214 [12:29:16] WARNING: no name column found on line 215 [12:29:16] WARNING: no name column found on line 216 ...... ---------------------------------------------------------------------- Ran 10 tests in 0.174s OK .................. ---------------------------------------------------------------------- Ran 18 tests in 1.335s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.177s OK ........ ---------------------------------------------------------------------- Ran 8 tests in 0.062s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.056s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.039s OK . ---------------------------------------------------------------------- Ran 1 test in 0.164s OK ........ ---------------------------------------------------------------------- Ran 8 tests in 0.001s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.012s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.001s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.015s OK ....... ---------------------------------------------------------------------- Ran 7 tests in 0.025s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.048s OK .... ---------------------------------------------------------------------- Ran 4 tests in 6.230s OK .......... ---------------------------------------------------------------------- Ran 10 tests in 0.123s OK . ---------------------------------------------------------------------- Ran 1 test in 0.000s OK .......... ---------------------------------------------------------------------- Ran 10 tests in 0.014s OK ..... ---------------------------------------------------------------------- Ran 5 tests in 0.090s OK .........[12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. [12:29:56] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D. .......[12:29:56] Molecule does not have explicit Hs. Consider calling AddHs() [12:29:56] Molecule does not have explicit Hs. Consider calling AddHs() ..... ---------------------------------------------------------------------- Ran 21 tests in 12.096s OK mol_197 219.68,35.94,110.98,11.56,110.32,11.04,95.23,10.25,0.00 mol_223 243.69,7.04,134.64,0.81,134.56,0.81,85.50,0.37,0.00 mol_269 216.59,3.99,105.00,0.87,103.81,0.89,89.27,0.92,6.00 . ---------------------------------------------------------------------- Ran 1 test in 0.000s OK ...[12:29:58] **** Pre-condition Violation molecule has no conformers Violation occurred on line 37 in file ./Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp Failed Expression: dp_mol->getNumConformers() **** . ---------------------------------------------------------------------- Ran 4 tests in 0.038s OK .. ---------------------------------------------------------------------- Ran 2 tests in 12.761s OK .. ---------------------------------------------------------------------- Ran 2 tests in 0.120s OK ... ---------------------------------------------------------------------- Ran 3 tests in 0.012s OK .... ---------------------------------------------------------------------- Ran 4 tests in 0.030s OK .....[12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors [12:30:16] WARNING: not removing hydrogen atom without neighbors ..... ---------------------------------------------------------------------- Ran 10 tests in 0.710s OK ssssss..........s/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu/rdkit/Chem/Draw/__init__.py:237: DeprecationWarning: legacy DrawingOptions not translated for new drawing code, please update manually warnings.warn( ..... ---------------------------------------------------------------------- Ran 22 tests in 12.141s OK (skipped=7) sss. ---------------------------------------------------------------------- Ran 4 tests in 0.982s OK (skipped=3) ssss ---------------------------------------------------------------------- Ran 4 tests in 0.000s OK (skipped=4) .......... ---------------------------------------------------------------------- Ran 10 tests in 2.225s OK ...[12:30:41] SMARTS Parse Error: syntax error while parsing: boromicacid [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid' [12:30:41] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide' [12:30:41] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride [12:30:41] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride' [12:30:41] reaction has no reactants [12:30:41] reaction has no products [12:30:41] initialization failed [12:30:41] reaction has no reactants [12:30:41] reaction has no products . ---------------------------------------------------------------------- Ran 4 tests in 0.136s OK ['C[C@@H](F)CN', 'C[C@@H](F)CN |a:1|', 'C[C@H](F)CN |o1:1|', 'C[C@H](F)CN |&1:1|'] .... ---------------------------------------------------------------------- Ran 4 tests in 0.032s OK ........................ ---------------------------------------------------------------------- Ran 24 tests in 0.246s OK !!! TEST FAILURE: python UnitTestDescriptors.py {} 5: [12:37:23] Finished: testMultipleTimes() 5: [12:37:23] 5: ----------------------------------------- 222/222 Test #5: testConcurrentQueue .................... Passed 751.37 sec 99% tests passed, 2 tests failed out of 222 Total Test time (real) = 751.47 sec The following tests FAILED: 20 - testConrec (Failed) 222 - pythonTestDirChem (Failed) Errors while running CTest make[2]: *** [Makefile:94: test] Error 8 make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' dh_auto_test: error: cd obj-aarch64-linux-gnu && make -j12 test ARGS\+=--verbose ARGS\+=-j12 returned exit code 2 make[1]: [debian/rules:133: override_dh_auto_test] Error 25 (ignored) make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_installdirs -O--buildsystem=cmake debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_auto_install cd obj-aarch64-linux-gnu && make -j12 install DESTDIR=/build/reproducible-path/rdkit-202309.3/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/rdkit-202309.3 -B/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/__pycache__ -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/spiral.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/retest.txt -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/listutils.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/fileutils.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/comhack.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemutils.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw_qax.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/chemdraw.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/cactvs.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/utils/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__pycache__ -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/utils.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/util/HTMLPiddler.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.ps -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__ -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pstests.cpython-311.pyc -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__pycache__/pidtest.cpython-311.pyc -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/testallps.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pstests.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/pidtest.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/tests/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/stringformat.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pid.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/pagesizes.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/examples/formatted-strings.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/colors.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWxDc.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/pidWX.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/WX/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/pidTK.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/TK/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/pidSVG.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/SVG/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/pidReportLab.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/ReportLab/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/README -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt4.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/pidQt.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Qt/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/pidPyart.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/Pyart/Fontmapping.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/psmetrics.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/pidPS.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/latin1MetricsCache.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/fontinfo.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PS/__init__.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/test.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDBoost.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/Wrap.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/PySequenceHolder.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/list_indexing_suite.hpp -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/python.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/boost_numpy.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDBoost/python_streambuf.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/rdBase.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDStreams.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDStreams.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRDStreams.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/RDStreams/streams.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDataStructs.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDataStructs.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDataStructs.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/base64.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/BitOps.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/BitVect.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/BitVects.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/BitVectUtils.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/DatastructsException.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/DatastructsStreamOps.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/DiscreteDistMat.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/DiscreteValueVect.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataStructs/ExplicitBitVect.h -- 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitAlignment.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitAlignment.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Numerics/Alignment/AlignPoints.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Numerics/rdAlignment.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitEigenSolvers.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitEigenSolvers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Numerics/EigenSolvers/PowerEigenSolver.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitOptimizer.so.1.2023.09.3 -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitForceField.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitForceField.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/Contrib.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/ForceField.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleBend.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/BondStretch.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/Contribs.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/Nonbonded.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/Params.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/Inversion.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/UFF/TorsionAngle.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleBend.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/BondStretch.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/StretchBend.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/OopBend.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionAngle.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/Nonbonded.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/Contribs.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/DistanceConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/AngleConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/TorsionConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/PositionConstraint.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ForceField/MMFF/Params.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ForceField/rdForceField.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeometry.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeometry.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeometry.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DistGeom/BoundsMatrix.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DistGeom/ChiralSet.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DistGeom/ChiralViolationContrib.h -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/BondIterators.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Canon.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Chirality.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Conformer.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/details.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/GraphMol.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolOps.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolPickler.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/PeriodicTable.h -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/RWMol.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SanitException.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SubstanceGroup.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/StereoGroup.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MonomerInfo.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/new_canon.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolBundle.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSmilesParse.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSmilesParse.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSmilesParse.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/primes.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmartsWrite.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParse.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesParseOps.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SmilesParse/SmilesWrite.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDepictor.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDepictor.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDepictor.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Depictor/DepictUtils.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Depictor/EmbeddedFrag.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Depictor/RDDepictor.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdDepictor.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMarvinParser.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMarvinParser.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMarvinParser.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MarvinParser/MarvinParser.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFileParsers.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFileParsers.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFileParsers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/CDXMLParser.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParsers.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/FileParserUtils.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolFileStereochem.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolSupplier.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FileParsers/MolWriters.h -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/CartesianProduct.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSample.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdChemReactions.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemTransforms.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemTransforms.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemTransforms.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ChemTransforms/ChemTransforms.h -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FilterMatchers.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdfiltercatalog.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFragCatalog.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFragCatalog.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitFragCatalog.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogEntry.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatalogUtils.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatGenerator.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragCatParams.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/FragCatalog/FragFPGenerator.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdfragcatalog.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDescriptors.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDescriptors.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDescriptors.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Descriptors/Crippen.h -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdForceFieldHelpers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitDistGeomHelpers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/DistGeomHelpers/Embedder.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdDistGeom.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolAlign.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolAlign.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitO3AAlign.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitO3AAlign.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitO3AAlign.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/AlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolAlign/O3AAlignMolecules.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdMolAlign.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/FeatureParser.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolChemicalFeatures/MolChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdMolChemicalFeatures.so -- 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSubstructLibrary.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrary.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/SubstructLibrarySerialization.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/SubstructLibrary/PatternFactory.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdSubstructLibrary.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitRGroupDecomposition.so.1.2023.09.3 -- Installing: 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/build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/MolStandardize/rdMolStandardize.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/ScaffoldNetwork/ScaffoldNetwork.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/Scaffolds/rdScaffoldNetwork.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolEnumerator.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/MolEnumerator.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/MolEnumerator/LinkNode.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdMolEnumerator.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitAbbreviations.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitAbbreviations.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/Abbreviations/Abbreviations.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdAbbreviations.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/GraphMol/GeneralizedSubstruct/XQMol.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdGeneralizedSubstruct.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/AndQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/EqualityQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/GreaterEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/GreaterQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/LessEqualQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/LessQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/NullQueryAlgebra.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/OrQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/Query.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/QueryObjects.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/RangeQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/SetQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Query/XOrQuery.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/Features/Feature.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricFuncs.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/DataManip/MetricMatrixCalc/MetricMatrixCalc.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSimDivPickers.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/SimDivPickers/DistPicker.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/SimDivPickers/LeaderPicker.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/SimDivPickers/HierarchicalClusterPicker.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/SimDivPickers/MaxMinPicker.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKithc.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKithc.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKithc.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Cluster/Clustering.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitInfoTheory.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitInfoTheory.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/ML/Data/cQuantize.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1.2023.09.3 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemicalFeatures.so.1 -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/libRDKitChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ChemicalFeatures/ChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/include/rdkit/ChemicalFeatures/FreeChemicalFeature.h -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/Chem/rdChemicalFeatures.so -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages/rdkit/RDPaths.py -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets.cmake -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/cmake/rdkit/rdkit-targets-none.cmake -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/cmake/rdkit/rdkit-config.cmake -- Installing: /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/cmake/rdkit/rdkit-config-version.cmake make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/obj-aarch64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' debian/rules override_dh_install make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' mkdir -p /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3 mv /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11/site-packages /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3/dist-packages rm -f -rf /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3.11 ln -sf /usr/share/fonts/truetype/freefont/FreeSans.ttf /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3/dist-packages/rdkit/Chem/Draw/FreeSans.ttf dh_install -ppython3-rdkit /usr/lib/python3 rm -f -rf /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/lib/python3/dist-packages/rdkit/docs/ rm -f -rf /build/reproducible-path/rdkit-202309.3/debian/tmp/usr/share/RDKit/Projects/__pycache__ dh_numpy3 dh_install mkdir -p /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit/ # cp /build/reproducible-path/rdkit-202309.3/Docs/Book/_build/latex/RDKit.pdf /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit/ cp -a /build/reproducible-path/rdkit-202309.3/Docs/Book/_build/html /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit/ pg_buildext install /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit build-%v postgresql-%v-rdkit ### PostgreSQL 16 install ### make[2]: Entering directory '/build/reproducible-path/rdkit-202309.3/build-16' /bin/mkdir -p '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib' /bin/mkdir -p '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/share/postgresql/16/extension' /bin/mkdir -p '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/share/postgresql/16/extension' /usr/bin/install -c -m 755 rdkit.so '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/rdkit.so' /usr/bin/install -c -m 644 /build/reproducible-path/rdkit-202309.3/Code/PgSQL/rdkit/rdkit.control '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/share/postgresql/16/extension/' /usr/bin/install -c -m 644 rdkit--4.4.0.sql '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/share/postgresql/16/extension/' /bin/mkdir -p '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode/rdkit' /bin/mkdir -p '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/ /usr/bin/install -c -m 644 rdkit_io.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 mol_op.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 bfp_op.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 sfp_op.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 rxn_op.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 rdkit_gist.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 bfp_gist.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 bfp_gin.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 low_gist.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 guc.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 cache.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 adapter.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ /usr/bin/install -c -m 644 bitstring.bc '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode'/rdkit/./ cd '/build/reproducible-path/rdkit-202309.3/debian/postgresql-16-rdkit/usr/lib/postgresql/16/lib/bitcode' && /usr/lib/llvm-16/bin/llvm-lto -thinlto -thinlto-action=thinlink -o rdkit.index.bc rdkit/rdkit_io.bc rdkit/mol_op.bc rdkit/bfp_op.bc rdkit/sfp_op.bc rdkit/rxn_op.bc rdkit/rdkit_gist.bc rdkit/bfp_gist.bc rdkit/bfp_gin.bc rdkit/low_gist.bc rdkit/guc.bc rdkit/cache.bc rdkit/adapter.bc rdkit/bitstring.bc make[2]: Leaving directory '/build/reproducible-path/rdkit-202309.3/build-16' ### End 16 install ### ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit//html/cppapi/jquery.js ln -sf /usr/share/javascript/jquery/jquery.js /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/jquery.js ln -sf /usr/share/javascript/underscore/underscore.js /build/reproducible-path/rdkit-202309.3/debian/rdkit-doc/usr/share/doc/rdkit//html/_static/underscore.js make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' dh_installdocs -O--buildsystem=cmake debian/rules override_dh_installchangelogs make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_installchangelogs ReleaseNotes.md make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' debian/rules override_dh_python3 make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_python3 -ppython3-rdkit I: dh_python3 fs:418: renaming rdBase.so to rdBase.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdAbbreviations.so to rdAbbreviations.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdChemReactions.so to rdChemReactions.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdChemicalFeatures.so to rdChemicalFeatures.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdCoordGen.so to rdCoordGen.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdDepictor.so to rdDepictor.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdDeprotect.so to rdDeprotect.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdDistGeom.so to rdDistGeom.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdFMCS.so to rdFMCS.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdFingerprintGenerator.so to rdFingerprintGenerator.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdForceFieldHelpers.so to rdForceFieldHelpers.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdGeneralizedSubstruct.so to rdGeneralizedSubstruct.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMHFPFingerprint.so to rdMHFPFingerprint.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMMPA.so to rdMMPA.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolAlign.so to rdMolAlign.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolCatalog.so to rdMolCatalog.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolChemicalFeatures.so to rdMolChemicalFeatures.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolDescriptors.so to rdMolDescriptors.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolEnumerator.so to rdMolEnumerator.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolHash.so to rdMolHash.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolInterchange.so to rdMolInterchange.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolTransforms.so to rdMolTransforms.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdPartialCharges.so to rdPartialCharges.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdRGroupDecomposition.so to rdRGroupDecomposition.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdRascalMCES.so to rdRascalMCES.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdReducedGraphs.so to rdReducedGraphs.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdSLNParse.so to rdSLNParse.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdShapeHelpers.so to rdShapeHelpers.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdSubstructLibrary.so to rdSubstructLibrary.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdTautomerQuery.so to rdTautomerQuery.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdchem.so to rdchem.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdfiltercatalog.so to rdfiltercatalog.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdfragcatalog.so to rdfragcatalog.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdmolfiles.so to rdmolfiles.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdmolops.so to rdmolops.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdqueries.so to rdqueries.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdtrajectory.so to rdtrajectory.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMolStandardize.so to rdMolStandardize.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming cDataStructs.so to cDataStructs.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming DistGeom.so to DistGeom.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdForceField.so to rdForceField.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdGeometry.so to rdGeometry.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming Clustering.so to Clustering.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming cQuantize.so to cQuantize.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdInfoTheory.so to rdInfoTheory.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdAlignment.so to rdAlignment.cpython-311-aarch64-linux-gnu.so I: dh_python3 fs:418: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-311-aarch64-linux-gnu.so dh_numpy3 -ppython3-rdkit make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' dh_installsystemduser -O--buildsystem=cmake dh_lintian -O--buildsystem=cmake dh_perl -O--buildsystem=cmake dh_link -O--buildsystem=cmake dh_strip_nondeterminism -O--buildsystem=cmake dh_compress -O--buildsystem=cmake dh_fixperms -O--buildsystem=cmake debian/rules override_dh_missing make[1]: Entering directory '/build/reproducible-path/rdkit-202309.3' dh_missing --list-missing dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example1.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example10.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example11.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example12.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example13.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example14.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example15.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example16.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example17.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example2.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example3.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example4.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example5.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example6.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example7.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example8.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/C++Examples/example9.cpp exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Cartridge.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Cookbook.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/GettingStartedInC++.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/GettingStartedInPython.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Install.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Makefile exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/Overview.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/RDKit_Book.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/api-docs.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/conf.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/AmideBond.rxn exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/README.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/bzr.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/bzr.smi exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/cdk2.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/chiral.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/input.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/invalid.mol exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/solubility.test.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/solubility.train.sdf exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/data/test_multi_colours.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/exts/extapi.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png exists in debian/tmp but is not installed to anywhere 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not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_highlights_3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_labels_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_labels_2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/atom_labels_3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_mol1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_mol2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/indole1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_3.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mcs_example_6.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/mol_metadata1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: 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usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Book_jp/terminology_jp.rst exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/CIPLabeling.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/CodingStandards.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/EnhancedStereo.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/SGroups.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.ai exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.inkscape.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.lrg.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/logo_plain.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/Notebooks/compounds.txt exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Docs/RD.css exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/README exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/FeatFinderCLI.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/PythonFormat.py exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/README.md exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/create_deb_packages.sh exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/Scripts/test.sh exists in debian/tmp but is not installed to anywhere dh_missing: warning: usr/share/RDKit/license.txt exists in debian/tmp but is not installed to anywhere The following debhelper tools have reported what they installed (with files per package) * dh_install: librdkit-dev (60), librdkit1t64 (116), postgresql-16-rdkit (0), python3-rdkit (1), rdkit-data (3), rdkit-doc (0) * dh_installdocs: librdkit-dev (0), librdkit1t64 (0), postgresql-16-rdkit (0), python3-rdkit (0), rdkit-data (0), rdkit-doc (0) If the missing files are installed by another tool, please file a bug against it. When filing the report, if the tool is not part of debhelper itself, please reference the "Logging helpers and dh_missing" section from the "PROGRAMMING" guide for debhelper (10.6.3+). (in the debhelper package: /usr/share/doc/debhelper/PROGRAMMING.md.gz) Be sure to test with dpkg-buildpackage -A/-B as the results may vary when only a subset is built If the omission is intentional or no other helper can take care of this consider adding the paths to debian/not-installed. make[1]: Leaving directory '/build/reproducible-path/rdkit-202309.3' dh_dwz -a -O--buildsystem=cmake dh_strip -a -O--buildsystem=cmake dh_makeshlibs -a -O--buildsystem=cmake dh_shlibdeps -a -O--buildsystem=cmake dh_installdeb -O--buildsystem=cmake dh_gencontrol -O--buildsystem=cmake dpkg-gencontrol: warning: Depends field of package rdkit-doc: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package rdkit-data: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package librdkit-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package rdkit-doc: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package librdkit1t64: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined dpkg-gencontrol: warning: package postgresql-16-rdkit: substitution variable ${python3:Depends} unused, but is defined dh_md5sums -O--buildsystem=cmake dh_builddeb -O--buildsystem=cmake dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'postgresql-16-rdkit' in '../postgresql-16-rdkit_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202309.3-4~exp1_all.deb'. dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202309.3-4~exp1_all.deb'. dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202309.3-4~exp1_arm64.deb'. dpkg-deb: building package 'postgresql-16-rdkit-dbgsym' in '../postgresql-16-rdkit-dbgsym_202309.3-4~exp1_arm64.deb'. dpkg-genbuildinfo --build=binary -O../rdkit_202309.3-4~exp1_arm64.buildinfo dpkg-genchanges --build=binary -O../rdkit_202309.3-4~exp1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . 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/2570913/tmp/hooks/B01_cleanup starting I: user script /srv/workspace/pbuilder/2570913/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/2570913 and its subdirectories I: Current time: Fri Jun 13 12:41:01 +14 2025 I: pbuilder-time-stamp: 1749768061