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1 -rw-r--r--···0········0········0········4·2021-03-29·04:45:03.000000·debian-binary1 -rw-r--r--···0········0········0········4·2021-03-29·04:45:03.000000·debian-binary
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1 Package:·gromacs-data1 Package:·gromacs-data
2 Source:·gromacs2 Source:·gromacs
3 Version:·2020.6-23 Version:·2020.6-2
4 Architecture:·all4 Architecture:·all
5 Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org>5 Maintainer:·Debichem·Team·<debichem-devel@lists.alioth.debian.org>
6 Installed-Size:·1675566 Installed-Size:·167553
7 Depends:·libjs-mathjax7 Depends:·libjs-mathjax
8 Recommends:·gromacs8 Recommends:·gromacs
9 Conflicts:·gromacs-doc9 Conflicts:·gromacs-doc
10 Replaces:·gromacs-doc10 Replaces:·gromacs-doc
11 Section:·science11 Section:·science
12 Priority:·optional12 Priority:·optional
13 Multi-Arch:·foreign13 Multi-Arch:·foreign
48.0 B
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69 ··<div·class="headertitle">69 ··<div·class="headertitle">
70 <div·class="title">Module·dependency·graph·</div>··</div>70 <div·class="title">Module·dependency·graph·</div>··</div>
71 </div><!--header-->71 </div><!--header-->
72 <div·class="contents">72 <div·class="contents">
73 <div·class="textblock"><p><a·class="anchor"·id="md_docs_doxygen_lib_modulegraph"></a></p>73 <div·class="textblock"><p><a·class="anchor"·id="md_docs_doxygen_lib_modulegraph"></a></p>
74 <p>The·graph·below·shows·the·dependencies·between·the·source·code·modules,·computed·from·include·statements·in·the·code.·For·documented·modules·(those·that·do·not·have·a·gray·background),·clicking·on·the·module·takes·you·to·the·module·documentation.·Legend·for·the·graph·can·be·found·below·the·graph.</p>74 <p>The·graph·below·shows·the·dependencies·between·the·source·code·modules,·computed·from·include·statements·in·the·code.·For·documented·modules·(those·that·do·not·have·a·gray·background),·clicking·on·the·module·takes·you·to·the·module·documentation.·Legend·for·the·graph·can·be·found·below·the·graph.</p>
75 <p><div·class="dotgraph">75 <p><div·class="dotgraph">
76 <iframe·scrolling="no"·frameborder="0"·src="dot_module-deps.svg"·width="7500"·height="1880"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div>76 <iframe·scrolling="no"·frameborder="0"·src="dot_module-deps.svg"·width="7552"·height="1880"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div>
77 </p>77 </p>
78 <h1><a·class="anchor"·id="autotoc_md39"></a>78 <h1><a·class="anchor"·id="autotoc_md39"></a>
79 Legend</h1>79 Legend</h1>
80 <p>The·graph·below·annotates·the·colors·and·line·styles·used·in·the·module·dependency·graph·above.·More·detailed·textual·annotation·is·below·the·graph.</p>80 <p>The·graph·below·annotates·the·colors·and·line·styles·used·in·the·module·dependency·graph·above.·More·detailed·textual·annotation·is·below·the·graph.</p>
81 <div·class="dotgraph">81 <div·class="dotgraph">
82 <iframe·scrolling="no"·frameborder="0"·src="dot_inline_dotgraph_2.svg"·width="440"·height="407"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div>82 <iframe·scrolling="no"·frameborder="0"·src="dot_inline_dotgraph_2.svg"·width="440"·height="407"><p><b>This·browser·is·not·able·to·show·SVG:·try·Firefox,·Chrome,·Safari,·or·Opera·instead.</b></p></iframe></div>
83 <p>Node·colors:·</p><dl>83 <p>Node·colors:·</p><dl>
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61 and·Artem·Zhmurov.</p>61 and·Artem·Zhmurov.</p>
62 <p>Mark·Abraham,·Berk·Hess,·David·van·der·Spoel,·and·Erik·Lindahl.</p>62 <p>Mark·Abraham,·Berk·Hess,·David·van·der·Spoel,·and·Erik·Lindahl.</p>
63 <p>©·1991··2000:</p>63 <p>©·1991··2000:</p>
64 <blockquote>64 <blockquote>
65 <div><p>Department·of·Biophysical·Chemistry,·University·of·Groningen.65 <div><p>Department·of·Biophysical·Chemistry,·University·of·Groningen.
66 Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.</p>66 Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.</p>
67 </div></blockquote>67 </div></blockquote>
68 <p>©·2001··2025:</p>68 <p>©·2001··2024:</p>
69 <blockquote>69 <blockquote>
70 <div><p>The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and70 <div><p>The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology·and
71 Uppsala·University,·Sweden.</p>71 Uppsala·University,·Sweden.</p>
72 </div></blockquote>72 </div></blockquote>
73 <p>This·manual·is·not·complete·and·has·no·pretension·to·be·so·due73 <p>This·manual·is·not·complete·and·has·no·pretension·to·be·so·due
74 to·lack·of·time·of·the·contributors··our·first·priority·is·to·improve74 to·lack·of·time·of·the·contributors··our·first·priority·is·to·improve
75 the·software.·It·is·worked·on·continuously,75 the·software.·It·is·worked·on·continuously,
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25 Meulenhoff,·Teemu·Murtola,·Szilárd·Páll,·Sander·Pronk,·Roland·Schulz,·Michael25 Meulenhoff,·Teemu·Murtola,·Szilárd·Páll,·Sander·Pronk,·Roland·Schulz,·Michael
26 Shirts,·Alexey·Shvetsov,·Alfons·Sijbers,·Peter·Tieleman,·Teemu·Virolainen,26 Shirts,·Alexey·Shvetsov,·Alfons·Sijbers,·Peter·Tieleman,·Teemu·Virolainen,
27 Christian·Wennberg,·Maarten·Wolf,·and·Artem·Zhmurov.27 Christian·Wennberg,·Maarten·Wolf,·and·Artem·Zhmurov.
28 Mark·Abraham,·Berk·Hess,·David·van·der·Spoel,·and·Erik·Lindahl.28 Mark·Abraham,·Berk·Hess,·David·van·der·Spoel,·and·Erik·Lindahl.
29 ©·1991·â€“·2000:29 ©·1991·â€“·2000:
30 ·····Department·of·Biophysical·Chemistry,·University·of·Groningen.30 ·····Department·of·Biophysical·Chemistry,·University·of·Groningen.
31 ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.31 ·····Nijenborgh·4,·9747·AG·Groningen,·The·Netherlands.
32 ©·2001·â€“·2025:32 ©·2001·â€“·2024:
33 ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology33 ·····The·GROMACS·development·teams·at·the·Royal·Institute·of·Technology
34 ·····and·Uppsala·University,·Sweden.34 ·····and·Uppsala·University,·Sweden.
35 This·manual·is·not·complete·and·has·no·pretension·to·be·so·due·to·lack·of·time35 This·manual·is·not·complete·and·has·no·pretension·to·be·so·due·to·lack·of·time
36 of·the·contributors·â€“·our·first·priority·is·to·improve·the·software.·It·is36 of·the·contributors·â€“·our·first·priority·is·to·improve·the·software.·It·is
37 worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not37 worked·on·continuously,·which·in·some·cases·might·mean·the·information·is·not
38 entirely·correct.38 entirely·correct.
39 Comments·on·form·and·content·are·welcome,·please·send·them·to·one·of·the39 Comments·on·form·and·content·are·welcome,·please·send·them·to·one·of·the
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909 ········"2015":·[144,·145],909 ········"2015":·[144,·145],
910 ········"2016":·[1,·145,·160,·161,·167,·168,·169,·170,·171,·178,·182],910 ········"2016":·[1,·145,·160,·161,·167,·168,·169,·170,·171,·178,·182],
911 ········"2017":·[36,·145,·157,·158,·160,·182,·194],911 ········"2017":·[36,·145,·157,·158,·160,·182,·194],
912 ········"2018":·[1,·25,·159,·176,·182,·183,·184,·185,·186,·187,·189,·191,·193,·201,·226],912 ········"2018":·[1,·25,·159,·176,·182,·183,·184,·185,·186,·187,·189,·191,·193,·201,·226],
913 ········"2019":·[2,·4,·28,·145,·171,·172,·173,·174,·191,·197,·198,·199,·200,·201,·226],913 ········"2019":·[2,·4,·28,·145,·171,·172,·173,·174,·191,·197,·198,·199,·200,·201,·226],
914 ········"2020":·[2,·24,·26,·36,·144,·187,·206],914 ········"2020":·[2,·24,·26,·36,·144,·187,·206],
915 ········"2021":·[198,·201,·202,·212],915 ········"2021":·[198,·201,·202,·212],
916 ········"2024":·174, 
917 ········"2025":·[144,·155],916 ········"2024":·[144,·174],
 917 ········"2025":·155,
918 ········"2026":·181,918 ········"2026":·181,
919 ········"2027":·181,919 ········"2027":·181,
920 ········"2028":·181,920 ········"2028":·181,
921 ········"2029":·155,921 ········"2029":·155,
922 ········"2031":·174,922 ········"2031":·174,
923 ········"2032":·[45,·145,·174],923 ········"2032":·[45,·145,·174],
924 ········"2033":·155,924 ········"2033":·155,
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libgromacs-dev_2020.6-2_i386.deb
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134 -rw-r--r--···0·root·········(0)·root·········(0)·····1722·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-config-version.cmake134 -rw-r--r--···0·root·········(0)·root·········(0)·····1722·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-config-version.cmake
135 -rw-r--r--···0·root·········(0)·root·········(0)·····1181·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-config.cmake135 -rw-r--r--···0·root·········(0)·root·········(0)·····1181·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-config.cmake
136 -rw-r--r--···0·root·········(0)·root·········(0)······936·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-release.cmake136 -rw-r--r--···0·root·········(0)·root·········(0)······936·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi-release.cmake
137 -rw-r--r--···0·root·········(0)·root·········(0)·····3281·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi.cmake137 -rw-r--r--···0·root·········(0)·root·········(0)·····3281·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gmxapi/gmxapi.cmake
138 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/138 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/
139 -rw-r--r--···0·root·········(0)·root·········(0)·····2025·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-config-version.cmake139 -rw-r--r--···0·root·········(0)·root·········(0)·····2025·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-config-version.cmake
140 -rw-r--r--···0·root·········(0)·root·········(0)·····6215·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-config.cmake140 -rw-r--r--···0·root·········(0)·root·········(0)·····6215·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-config.cmake
141 -rw-r--r--···0·root·········(0)·root·········(0)·····2312·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake141 -rw-r--r--···0·root·········(0)·root·········(0)·····2314·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/gromacs-toolchain.cmake
142 -rw-r--r--···0·root·········(0)·root·········(0)······851·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/libgromacs-release.cmake142 -rw-r--r--···0·root·········(0)·root·········(0)······851·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/libgromacs-release.cmake
143 -rw-r--r--···0·root·········(0)·root·········(0)·····3592·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/libgromacs.cmake143 -rw-r--r--···0·root·········(0)·root·········(0)·····3592·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs/libgromacs.cmake
144 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/144 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/
145 -rw-r--r--···0·root·········(0)·root·········(0)·····2312·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake145 -rw-r--r--···0·root·········(0)·root·········(0)·····2314·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs-toolchain_d.cmake
146 -rw-r--r--···0·root·········(0)·root·········(0)·····2025·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config-version.cmake146 -rw-r--r--···0·root·········(0)·root·········(0)·····2025·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config-version.cmake
147 -rw-r--r--···0·root·········(0)·root·········(0)·····6220·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config.cmake147 -rw-r--r--···0·root·········(0)·root·········(0)·····6220·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/gromacs_d-config.cmake
148 -rw-r--r--···0·root·········(0)·root·········(0)······857·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/libgromacs-release.cmake148 -rw-r--r--···0·root·········(0)·root·········(0)······857·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/libgromacs-release.cmake
149 -rw-r--r--···0·root·········(0)·root·········(0)·····3592·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/libgromacs.cmake149 -rw-r--r--···0·root·········(0)·root·········(0)·····3592·2021-03-29·04:45:03.000000·./usr/share/gromacs/cmake/gromacs_d/libgromacs.cmake
150 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/template/150 drwxr-xr-x···0·root·········(0)·root·········(0)········0·2021-03-29·04:45:03.000000·./usr/share/gromacs/template/
151 -rw-r--r--···0·root·········(0)·root·········(0)·····1851·2021-03-04·14:49:48.000000·./usr/share/gromacs/template/CMakeLists.txt151 -rw-r--r--···0·root·········(0)·root·········(0)·····1851·2021-03-04·14:49:48.000000·./usr/share/gromacs/template/CMakeLists.txt
152 -rw-r--r--···0·root·········(0)·root·········(0)·····1196·2021-03-04·14:49:48.000000·./usr/share/gromacs/template/Makefile.pkg152 -rw-r--r--···0·root·········(0)·root·········(0)·····1196·2021-03-04·14:49:48.000000·./usr/share/gromacs/template/Makefile.pkg
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30 #·official·version·at·http://www.gromacs.org.30 #·official·version·at·http://www.gromacs.org.
31 #31 #
32 #·To·help·us·fund·GROMACS·development,·we·humbly·ask·that·you·cite32 #·To·help·us·fund·GROMACS·development,·we·humbly·ask·that·you·cite
33 #·the·research·papers·on·the·package.·Check·out·http://www.gromacs.org.33 #·the·research·papers·on·the·package.·Check·out·http://www.gromacs.org.
  
34 #·Setting·CMAKE_SYSTEM_NAME·tells·CMake·we·are·cross·compiling.34 #·Setting·CMAKE_SYSTEM_NAME·tells·CMake·we·are·cross·compiling.
35 SET(CMAKE_SYSTEM_NAME·"Linux")35 SET(CMAKE_SYSTEM_NAME·"Linux")
36 SET(CMAKE_SYSTEM_VERSION·"6.1.0-17-amd64")36 SET(CMAKE_SYSTEM_VERSION·"6.1.0-17-686-pae")
37 SET(CMAKE_C_COMPILER··"/usr/bin/cc")37 SET(CMAKE_C_COMPILER··"/usr/bin/cc")
38 SET(CMAKE_CXX_COMPILER·"/usr/bin/c++")38 SET(CMAKE_CXX_COMPILER·"/usr/bin/c++")
39 SET(CMAKE_LINKER·"/usr/bin/ld")39 SET(CMAKE_LINKER·"/usr/bin/ld")
40 #·The·following·are·only·relevant·in·Mac·OS·X·environments.40 #·The·following·are·only·relevant·in·Mac·OS·X·environments.
41 SET(CMAKE_OSX_DEPLOYMENT_TARGET·""·CACHE·STRING·"OS·X·Deployment·target"·FORCE)41 SET(CMAKE_OSX_DEPLOYMENT_TARGET·""·CACHE·STRING·"OS·X·Deployment·target"·FORCE)
42 SET(CMAKE_OSX_ARCHITECTURES·"")42 SET(CMAKE_OSX_ARCHITECTURES·"")
43 #·Ref:·https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake43 #·Ref:·https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake
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30 #·official·version·at·http://www.gromacs.org.30 #·official·version·at·http://www.gromacs.org.
31 #31 #
32 #·To·help·us·fund·GROMACS·development,·we·humbly·ask·that·you·cite32 #·To·help·us·fund·GROMACS·development,·we·humbly·ask·that·you·cite
33 #·the·research·papers·on·the·package.·Check·out·http://www.gromacs.org.33 #·the·research·papers·on·the·package.·Check·out·http://www.gromacs.org.
  
34 #·Setting·CMAKE_SYSTEM_NAME·tells·CMake·we·are·cross·compiling.34 #·Setting·CMAKE_SYSTEM_NAME·tells·CMake·we·are·cross·compiling.
35 SET(CMAKE_SYSTEM_NAME·"Linux")35 SET(CMAKE_SYSTEM_NAME·"Linux")
36 SET(CMAKE_SYSTEM_VERSION·"6.1.0-17-amd64")36 SET(CMAKE_SYSTEM_VERSION·"6.1.0-17-686-pae")
37 SET(CMAKE_C_COMPILER··"/usr/bin/cc")37 SET(CMAKE_C_COMPILER··"/usr/bin/cc")
38 SET(CMAKE_CXX_COMPILER·"/usr/bin/c++")38 SET(CMAKE_CXX_COMPILER·"/usr/bin/c++")
39 SET(CMAKE_LINKER·"/usr/bin/ld")39 SET(CMAKE_LINKER·"/usr/bin/ld")
40 #·The·following·are·only·relevant·in·Mac·OS·X·environments.40 #·The·following·are·only·relevant·in·Mac·OS·X·environments.
41 SET(CMAKE_OSX_DEPLOYMENT_TARGET·""·CACHE·STRING·"OS·X·Deployment·target"·FORCE)41 SET(CMAKE_OSX_DEPLOYMENT_TARGET·""·CACHE·STRING·"OS·X·Deployment·target"·FORCE)
42 SET(CMAKE_OSX_ARCHITECTURES·"")42 SET(CMAKE_OSX_ARCHITECTURES·"")
43 #·Ref:·https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake43 #·Ref:·https://stackoverflow.com/questions/32414112/setting-sdk-on-cross-compilation-to-osx-in-cmake