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* Move {app-doc → app-text}/doxygenMichał Górny2024-01-1220-39/+39
* sci-chemistry/mpqc: sys-devel/flex -> app-alternatives/lexSam James2024-01-081-2/+2
* profiles/use.desc: Make USE=cuda globalMichał Górny2023-12-261-1/+0
* sci-chemistry/gelemental: Stabilize 2.0.2 amd64, #920146Arthur Zamarin2023-12-161-1/+1
* sci-chemistry/cluster: Stabilize 1.3.081231-r2 amd64, #920145Arthur Zamarin2023-12-161-1/+1
* sci-chemistry/votca: Stabilize 2022.1 amd64, #920126Arthur Zamarin2023-12-161-1/+1
* sci-chemistry/gromacs: add 2024_beta, 2024.9999Alexey Shvetsov2023-11-253-0/+673
* sci-chemistry/wxmacmolplt: add github upstream metadataPacho Ramos2023-11-241-7/+10
* sci-chemistry/wxmacmolplt: add 7.7.2Pacho Ramos2023-11-242-0/+48
* sci-chemistry/openbabel: Works with wxGTK 3.2Pacho Ramos2023-11-242-1/+281
* sci-chemistry/chemtool: Use transfig from fig2devPacho Ramos2023-11-122-0/+56
* sci-chemistry/gromacs: enable py3.12Alexey Shvetsov2023-11-0110-10/+10
* sci-chemistry/gromacs: add quotes for ${HOME}Alexey Shvetsov2023-11-0110-20/+20
* sci-chemistry/gromacs: disable py3.9Alexey Shvetsov2023-11-0110-10/+10
* sci-chemistry/gromacs: Fix urlsAlexey Shvetsov2023-11-0112-32/+32
* sci-chemistry/easychem: revbump for clang-16 fixAndrew Ammerlaan2023-10-271-0/+0
* sci-chemistry/easychem: Fix build with clang 16Brahmajit Das2023-10-272-1/+15
* sci-chemistry/dssp: add 4.4.4.1Pacho Ramos2023-10-262-0/+55
* sci-chemistry/gromacs: Fix compilation with gcc-13Pacho Ramos2023-10-202-0/+13
* sci-chemistry/msms-bin: Fix download locationPacho Ramos2023-10-191-2/+2
* sci-chemistry/MDAnalysis: add 2.6.1, drop 2.4.3Alexey Shvetsov2023-10-142-1/+1
* Rename dev-python/{pytables → tables}Michał Górny2023-10-051-2/+2
* sci-chemistry/molequeue: fix VariableShadowedArthur Zamarin2023-09-191-7/+5
* sci-chemistry/tinker: update EAPI 6 -> 8Volkmar W. Pogatzki2023-09-172-14/+19
* sci-chemistry/chemex: drop 2022.3.4Pacho Ramos2023-09-172-43/+0
* sci-chemistry/chemex: add 2022.3.6Pacho Ramos2023-09-172-0/+44
* sci-chemistry/GromacsWrapper: drop 0.8.2Pacho Ramos2023-09-172-41/+0
* sci-chemistry/GromacsWrapper: add 0.8.5Pacho Ramos2023-09-172-0/+41
* sci-chemistry/autodock: update EAPI 7 -> 8, update HOMEPAGE, SRC_URIBrahmajit Das2023-09-142-0/+112
* sci-chemistry/cluster: Fix error: ISO C++17 does not allow register storage c...Brahmajit Das2023-09-112-0/+54
* sci-chemistry/gelemental: remove unused patch(es)Michael Mair-Keimberger2023-08-141-18/+0
* sci-chemistry/mdtraj: depend on <cython-3Sam James2023-08-131-1/+2
* sci-chemistry/gelemental: drop 2.0.1Matthias Maier2023-07-302-49/+0
* sci-chemistry/gelemental: add 2.0.2Matthias Maier2023-07-302-0/+48
* sci-chemistry/dssp: drop 4.4.0Pacho Ramos2023-07-212-40/+0
* sci-chemistry/dssp: add 4.4.1Pacho Ramos2023-07-212-0/+55
* sci-chemistry/pymol: Fix install on prefixPacho Ramos2023-07-201-1/+1
* sci-chemistry/dssp: drop 4.2.2.1Pacho Ramos2023-07-202-32/+0
* sci-chemistry/dssp: add 4.4.0Pacho Ramos2023-07-202-0/+40
* sci-chemistry/pymol: Use PEP517 buildPacho Ramos2023-07-202-0/+123
* sci-chemistry/pymol: drop 2.5.0-r2Pacho Ramos2023-07-191-98/+0
* sci-chemistry/pymol: Fix distutils-r1 usagePacho Ramos2023-07-191-7/+9
* sci-chemistry/gromacs: add 2023.2Alexey Shvetsov2023-07-132-0/+338
* sci-chemistry/gromacs: add 2022.6Alexey Shvetsov2023-07-132-0/+336
* sci-chemistry/gromacs: Stabilize 2021.7-r1 amd64, #906679Sam James2023-07-101-1/+1
* sci-chemistry/gromacs: drop 2022.4, 2023Pacho Ramos2023-07-093-674/+0
* sci-chemistry/gromacs: Needs to be rebuilt with cuda subslot changesPacho Ramos2023-07-099-9/+9
* sci-chemistry/ParmEd: add github upstream metadataSam James2023-06-301-0/+3
* sci-chemistry/ParmEd: drop blank DEPEND/RDEPENDSam James2023-06-301-4/+0
* sci-chemistry/gromacs: Fix docs build for pdf manualAlexey Shvetsov2023-06-294-0/+16