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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* sci-chemistry/gromacs: needs mpi[cxx]Sam James2021-11-043-3/+3
* sci-chemistry/gromacs: Fix depsAlexey Shvetsov2021-11-043-3/+3
* sci-chemistry/gromacs: Unbundle muParserAlexey Shvetsov2021-11-043-30/+27
* sci-chemistry/gromacs: Add 2022_beta1Alexey Shvetsov2021-10-284-11/+708
* sci-chemistry/gromacs: revbump for subslot operator changesSam James2021-10-268-12/+12
* sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changesPacho Ramos2021-10-265-7/+7
* sci-chemistry/pymol: drop 2.4.0-r1David Seifert2021-10-243-151/+0
* sci-chemistry/cluster: Port to EAPI 8Jakov Smolić2021-10-211-9/+10
* sci-chemistry/chemex: Drop oldPacho Ramos2021-10-192-41/+0
* sci-chemistry/chemex: Version bumpPacho Ramos2021-10-192-0/+47
* sci-chemistry/gromacs: fix confusing indentationSam James2021-10-143-18/+18
* sci-chemistry/gromacs: fix configure with -custom-cflagsSam James2021-10-143-3/+6
* sci-chemistry/dssp: Keyword 4.0.1_p20210831 x86, #811417Sam James2021-10-101-1/+1
* sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101Sam James2021-10-071-1/+1
* sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101Sam James2021-10-071-1/+1
* sci-chemistry/dssp: x86 stable wrt bug #816123Agostino Sarubbo2021-10-051-1/+1
* sci-chemistry/dssp: amd64 stable wrt bug #816123Agostino Sarubbo2021-10-041-1/+1
* sci-chemistry/dssp: Bump to 4.0.3Pacho Ramos2021-10-032-0/+32
* sci-chemistry/chemex: Version bumpPacho Ramos2021-09-262-0/+44
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2021-09-192-0/+52
* sci-chemistry/votca-csg: version bumpChristoph Junghans2021-09-192-0/+89
* 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