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* sci-chemistry/vmd: Fix compat with numpy-2 and don't mess with linkingPacho Ramos2024-07-111-0/+263
* sci-chemistry/molmol: Stabilize 2k_p2-r9 amd64, #935856Jakov Smolić2024-07-111-1/+1
* sci-chemistry/wxmacmolplt: drop 7.5-r1Pacho Ramos2024-07-053-60/+0
* sci-chemistry/xds-bin: drop 20170930Arthur Zamarin2024-07-052-49/+1
* sci-chemistry/xds-bin: add 20240831Markus Meier2024-07-052-1/+59
* sci-chemistry/openbabel: drop 3.1.1_p20210225Andreas Sturmlechner2024-06-291-280/+0
* */*: delete some utterly bogus remote-idsEli Schwartz2024-06-281-3/+0
* sci-chemistry/chemex: fix mysterious overdependency on tomliEli Schwartz2024-06-272-2/+0
* sci-chemistry/gromacs: Add ~riscv keywordAlexey Shvetsov2024-06-234-4/+4
* sci-chemistry/threeV: EAPI 6 -> 8Arthur Zamarin2024-06-211-12/+5
* sci-chemistry/chemex: drop 2022.3.6, 2024.02.16Pacho Ramos2024-06-163-90/+0
* sci-chemistry/chemex: add 2024.05.3Pacho Ramos2024-06-162-0/+46
* sci-chemistry/elem: unkeyword 1.0.3-r3 for sparcArthur Zamarin2024-06-131-1/+1
* sci-chemistry/elem: EAPI 6 -> 8Arthur Zamarin2024-06-131-2/+2
* sci-chemistry/vmd: enable py3.12Alexey Shvetsov2024-06-051-6/+4
* sci-chemistry/MDAnalysis: enable py3.12Alexey Shvetsov2024-06-051-3/+3
* sci-chemistry/molequeue: enable py3.12Andreas K. Hüttel2024-06-041-1/+1
* sci-chemistry/dssp: Add missing dependencyPacho Ramos2024-06-011-1/+3
* sci-chemistry/chemex: add 2024.05.2Pacho Ramos2024-06-012-0/+46
* sci-chemistry/molmol: Fix pkgcheck warningsPacho Ramos2024-05-181-4/+1
* sci-chemistry/molmol: Fix passing incompatible pointer typeBrahmajit Das2024-05-182-0/+118
* sci-chemistry/dssp: Fix EmptyGlobalAssignment warningPacho Ramos2024-05-181-1/+0
* sci-chemistry/dssp: drop 4.3.1, 4.4.1Pacho Ramos2024-05-183-95/+0
* sci-chemistry/dssp: add 4.4.7Pacho Ramos2024-05-182-0/+55
* sci-chemistry/chemex: Fix VariableOrderWrong warningPacho Ramos2024-05-181-1/+1
* sci-chemistry/chemex: drop 2022.3.5Pacho Ramos2024-05-182-43/+0
* sci-chemistry/chemex: add 2024.02.16Pacho Ramos2024-05-182-0/+46
* sci-chemistry/pymol: Update to 3.0.0 and drop oldAlexey Shvetsov2024-05-173-105/+6
* sci-chemistry/gromacs: add 2024.2Alexey Shvetsov2024-05-172-0/+338
* sci-chemistry/modeller: add 10.5, drop 9.25Alexey Shvetsov2024-05-173-9/+37
* sci-chemistry/pymol: OFL license has been renamed to OFL-1.0Ulrich Müller2024-05-132-4/+4
* */*: inline mirror://sourceforgeLucio Sauer2024-04-307-13/+13
* sci-chemistry/votca: add subslot dep on sci-libs/hdf5Sam James2024-04-232-4/+4
* sci-chemistry/mdtraj: Remove last-rited pkgMichał Górny2024-04-134-78/+0
* sci-chemistry/openbabel: Stabilize 3.1.1_p20210225-r1 amd64, #929186Arthur Zamarin2024-04-111-1/+1
* sci-chemistry/nmrglue: Remove last-rited pkgMichał Górny2024-03-293-61/+0
* sci-chemistry/gromacs: drop 2018.8-r2, 2019.6-r3Andreas Sturmlechner2024-03-264-533/+0
* sci-chemistry/autodock_vina: add github upstream metadataAlexey Shvetsov2024-03-261-0/+3
* sci-chemistry/autodock_vina: add 1.2.5Alexey Shvetsov2024-03-263-0/+115
* sci-chemistry/votca: drop 2022Andreas Sturmlechner2024-03-242-81/+0
* Move {sci-libs → dev-python}/scikit-learnMichał Górny2024-03-101-2/+2
* sci-chemistry/autodock_vina: Fix build with recent boostAlexey Shvetsov2024-03-031-2/+2
* sci-chemistry/gromacs: add 2023.4, drop 2023.3Alexey Shvetsov2024-02-292-3/+3
* sci-chemistry/gromacs: drop 2022.9999Alexey Shvetsov2024-02-291-333/+0
* sci-chemistry/gromacs: drop 2021.6Alexey Shvetsov2024-02-292-355/+0
* sci-chemistry/gromacs: drop 2022.5-r1Alexey Shvetsov2024-02-292-336/+0
* sci-chemistry/gromacs: drop 2023.1-r1, 2023.2Alexey Shvetsov2024-02-293-676/+0
* sci-chemistry/gromacs: add 2024.1Alexey Shvetsov2024-02-292-0/+338
* sci-chemistry/gromacs: add 2024, drop 2024_rcAlexey Shvetsov2024-02-012-3/+3
* sci-chemistry/gromacs: add 2023.3Alexey Shvetsov2024-01-252-0/+338