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* sci-chemistry/MDAnalysis: Use pypi.eclassMichał Górny2023-03-171-2/+2
* sci-chemistry/mdtraj: Use pypi.eclassMichał Górny2023-03-161-2/+1
* */*: Reassign junghans's packagesMichał Górny2023-03-041-4/+0
* sci-chemistry/dssp: drop 4.0.4Pacho Ramos2023-02-262-32/+0
* sci-chemistry/dssp: add 4.2.2.1Pacho Ramos2023-02-262-0/+32
* sci-chemistry/chemex: drop 2022.0.1-r1, 2022.1.0Pacho Ramos2023-02-263-86/+0
* sci-chemistry/chemex: add 2022.3.0Pacho Ramos2023-02-262-0/+43
* sci-chemistry/nmrglue: enable py3.11Andrew Ammerlaan2023-02-241-2/+2
* sci-chemistry/openbabel: enable py3.11Andrew Ammerlaan2023-02-233-4/+5
* sci-chemistry/autodock: simplify stubbed out test/py2 cruftSam James2023-02-171-23/+15
* sci-chemistry/gromacs: add 2023, drop 2023_rc1Alexey Shvetsov2023-02-142-3/+3
* sci-chemistry/gromacs: add 2022.5Alexey Shvetsov2023-02-142-0/+336
* Rename dev-python/{sphinx_rtd_theme → sphinx-rtd-theme}Michał Górny2023-02-141-1/+1
* sci-chemistry/pymol: support msgpack-5Marek Szuba2023-02-072-100/+1
* sci-chemistry/pymol: account for dev-libs/msgpack without IUSE=cxxMarek Szuba2023-02-052-2/+2
* sci-chemistry/gromacs: Revert changes related to wcharAlexey Shvetsov2023-02-025-5/+5
* sci-chemistry/gromacs: add 2021.7Alexey Shvetsov2023-02-022-0/+355
* sci-chemistry/gromacs: drop 2021.9999Andreas Sturmlechner2023-02-011-350/+0
* sci-chemistry/gromacs: drop versionsAlexey Shvetsov2023-01-306-1646/+0
* sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551Arthur Zamarin2023-01-281-1/+1
* sci-chemistry/gnome-chemistry-utils: Fix dependencyPacho Ramos2023-01-281-2/+2
* sci-chemistry/votca-csg: treecleanJakov Smolić2023-01-274-202/+0
* sci-chemistry/votca-csgapps: treecleanJakov Smolić2023-01-273-46/+0
* sci-chemistry/votca-xtp: treecleanJakov Smolić2023-01-274-110/+0
* sci-chemistry/chemex: add github upstream metadataPacho Ramos2023-01-241-0/+3
* sci-chemistry/chemex: add 2022.2.0Pacho Ramos2023-01-242-0/+43
* */*: remove py3.8 from PYTHON_COMPATDavid Seifert2023-01-1429-46/+46
* */*: make mycmakeargs localDavid Seifert2023-01-0315-39/+39
* sci-chemistry/dssp: drop 4.0.3Andreas Sturmlechner2023-01-022-32/+0
* sci-chemistry/MDAnalysis: Version bump. No longer depend on noseAlexey Shvetsov2022-12-263-41/+5
* sci-chemistry/gromacs: fix muParser depChristoph Junghans2022-12-245-5/+5
* sci-chemistry/votca: version bumpChristoph Junghans2022-12-232-0/+81
* sci-chemistry/gromacs: Fix manual buildAlexey Shvetsov2022-12-223-3/+3
* sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555Sam James2022-12-201-1/+1
* sci-chemistry/gromacs: Refuse to build with double + opencl enabledAlexey Shvetsov2022-12-2115-0/+15
* sci-chemistry/gromacs: remove mkl-10 hackAlexey Shvetsov2022-12-2115-75/+0
* sci-chemistry/gromacs: Make all uris httpsAlexey Shvetsov2022-12-2016-63/+127
* sci-chemistry/gromacs: Add 2023.x release seriesAlexey Shvetsov2022-12-204-4/+643
* sci-chemistry/gromacs: Fix pep517Alexey Shvetsov2022-12-207-7/+14
* sci-chemistry/gromacs: Add 2022.4 and fix pep517Alexey Shvetsov2022-12-204-6/+9
* sci-chemistry/raster3d: add media-libs/libtiff subslot depSam James2022-12-161-2/+2
* sci-chemistry/molmol: add media-libs/libtiff subslot depSam James2022-12-161-2/+2
* sci-chemistry/dssp: Keyword 4.2.0 x86, #884313Arthur Zamarin2022-12-051-1/+1