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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* sci-chemistry/pymol: Multiple bugfixesPacho Ramos2024-09-287-0/+485
* sci-chemistry/chemical-mime-data: drop 0.1.94-r4 and it's patchesFilip Kobierski2024-09-257-198/+0
* sci-chemistry/GromacsWrapper: remove empty variablesFilip Kobierski2024-09-251-3/+1
* sci-chemistry/GromacsWrapper: drop 0.8.4Filip Kobierski2024-09-252-41/+0
* sci-chemistry/chemical-mime-data: fix pkgcheck issuesFilip Kobierski2024-09-251-4/+2
* sci-chemistry/mopac7: mark as LTO-unsafeEli Schwartz2024-09-091-1/+7
* sci-chemistry/pymol: mark as LTO-unsafeEli Schwartz2024-09-051-0/+5
* sci-chemistry/pymol: drop a bunch of dependencies to runtime-onlyEli Schwartz2024-09-051-6/+7
* sci-chemistry/tinker: mark as LTO-unsafeEli Schwartz2024-08-051-1/+6
* sci-chemistry/votca: sync live ebuildPacho Ramos2024-07-311-3/+3
* sci-chemistry/votca: support py3.12Pacho Ramos2024-07-311-2/+2
* sci-chemistry/openbabel: sync live ebuildPacho Ramos2024-07-301-4/+8
* sci-chemistry/openbabel: enable py3.12Pacho Ramos2024-07-301-1/+1
* sci-chemistry/propka: add 3.5.1Pacho Ramos2024-07-302-0/+29
* sci-chemistry/procheck: treecleanArthur Zamarin2024-07-195-182/+0
* sci-chemistry/aqua: treecleanArthur Zamarin2024-07-194-191/+0
* sci-chemistry/xyza2pipe: treecleanArthur Zamarin2024-07-194-211/+0
* sci-chemistry/namd: treecleanArthur Zamarin2024-07-195-271/+0
* sci-chemistry/autodock_vina: Stabilize 1.2.5 amd64, #935909Arthur Zamarin2024-07-131-1/+1
* sci-chemistry/autodock_vina: fix build w/ boost-1.85Sam James2024-07-122-0/+22
* 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