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path: root/sci-chemistry
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* sci-chemistry/gromacs: Check patchesAlexey Shvetsov2021-09-151-6/+1
* sci-chemistry/gromacs: version bumpAlexey Shvetsov2021-09-152-0/+363
* sci-chemistry/mdtraj: Fix DISTUTILS_USE_SETUPTOOLSJakov Smolić2021-09-131-2/+1
* **/metadata.xml: Replace http by https in DOCTYPE elementUlrich Müller2021-09-1165-65/+65
* sci-chemistry/dssp: Bump to 3.0.11Pacho Ramos2021-09-022-0/+43
* sci-chemistry/dssp: Needs boost with zlib and bzip2 supportPacho Ramos2021-09-021-1/+1
* sci-chemistry/dssp: Needs boost with zlib and bzip2Pacho Ramos2021-09-021-1/+1
* sci-chemistry/dssp: Fix boost compat for dssp-2Pacho Ramos2021-09-022-0/+42
* sci-chemistry/dssp: Bump to 4.0.1Pacho Ramos2021-09-022-0/+34
* sci-chemistry/dssp: Take the packagePacho Ramos2021-09-021-4/+3
* sci-chemistry/mars: Remove last-rited packageJakov Smolić2021-08-303-52/+0
* sci-chemistry/gromacs: Needs to be rebuilt with hwlocPacho Ramos2021-08-253-3/+3
* sci-chemistry/bodr: Port to EAPI 8Jakov Smolic2021-08-141-11/+4
* sci-chemistry/easychem: Port to EAPI 8Jakov Smolic2021-08-141-8/+12
* sci-chemistry/mustang: Port to EAPI 8Jakov Smolic2021-08-142-10/+5
* sci-chemistry/mopac7: Port to EAPI 8Jakov Smolic2021-08-141-7/+10
* sci-chemistry/theseus: Port to EAPI 8Jakov Smolic2021-08-141-13/+15
* sci-chemistry/gnome-chemistry-utils: workaround build failure with GCC 11Sam James2021-07-271-1/+4
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2021-07-183-0/+53
* sci-chemistry/votca-csg: version bumpChristoph Junghans2021-07-182-0/+89
* sci-chemistry/vmd: PYTHON_MULTI_USEDEP -> PYTHON_USEDEPDavid Seifert2021-07-171-2/+2
* sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEPDavid Seifert2021-07-175-10/+10
* sci-chemistry/chemex: PYTHON_MULTI_USEDEP -> PYTHON_USEDEPDavid Seifert2021-07-171-7/+7
* sci-chemistry/gnome-chemistry-utils: Drop oldPacho Ramos2021-07-082-72/+0
* sci-chemistry/gnome-chemistry-utils: Version bumpPacho Ramos2021-07-082-0/+72
* sci-chemistry/tinker: add pkgconfig or pkgconfig-referenced libs depsSam James2021-06-181-4/+5
* sci-chemistry/dssp: Depend on dev-libs/boost:=[threads(+)]David Seifert2021-06-181-2/+2
* sci-chemistry/autodock_vina: Depend on dev-libs/boost:=[threads(+)]David Seifert2021-06-181-1/+1
* sci-chemistry/gromacs: Fix manual useAlexey Shvetsov2021-06-185-33/+52
* sci-chemistry/gromacs: drop oldAlexey Shvetsov2021-06-185-1424/+0
* sci-chemistry/gromacs: Allow to download manual instead of building itAlexey Shvetsov2021-06-1710-200/+279
* sci-chemistry/gromacs: Needs cuda_profiler_api.h to buildPacho Ramos2021-06-153-3/+3
* sci-libs/cbflib & sci-chemistry/rasmol: remove last-rited packagesJoonas Niilola2021-06-067-280/+0
* sci-chemistry/votca-ctp: subscribe to sci-libs/gsl subslotSam James2021-06-021-1/+1
* sci-chemistry/theseus: subscribe to sci-libs/gsl subslotSam James2021-06-021-1/+1
* sci-chemistry/numbat: subscribe to sci-libs/gsl subslotSam James2021-06-021-1/+1
* sci-chemistry/gromacs: Fix pkgcheck errorAlexey Shvetsov2021-06-0210-10/+10
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2021-06-022-0/+351
* sci-chemistry/gmxapi: Remove last-rited pkgMichał Górny2021-05-313-72/+0
* sci-chemistry/gnome-chemistry-utils: Drop oldPacho Ramos2021-05-302-109/+0
* sci-chemistry/gnome-chemistry-utils: Needs glu libraryPacho Ramos2021-05-301-0/+1
* sci-chemistry/gelemental: [QA] Disable static librariesDavid Seifert2021-05-281-3/+6
* sci-chemistry/pymol: apbs_tools.py is not createdPacho Ramos2021-05-201-10/+12
* sci-chemistry/pymol: Version bumpAlexey Shvetsov2021-05-162-0/+112
* sci-chemistry/autodock_vina: Fix build w/ boost-1.69Andreas Sturmlechner2021-05-161-4/+3
* sci-chemistry/gromacs: fix cmake_src_make -> cmake_src_compileSam James2021-05-1110-10/+10
* sci-chemistry/gromacs: remove ALLARCHESSam James2021-05-111-1/+0
* sci-chemistry/modeller: fix function/phase declaration styleSam James2021-05-041-3/+3
* sci-chemistry/vmd: Drop oldPacho Ramos2021-05-024-567/+0
* sci-chemistry/pymol: Re-host distfilesPacho Ramos2021-05-021-1/+1