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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* 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
* sci-chemistry/pymol: Drop dev-libs/msgpack[cxx(-)] to workaround portage bugPacho Ramos2023-06-241-0/+98
* sci-chemistry/GromacsWrapper: add 0.8.4Pacho Ramos2023-06-192-0/+41
* sci-chemistry/molden: drop 5.5Andreas Sturmlechner2023-06-107-162/+0
* sci-chemistry/votca: destabilize for ~x86Arthur Zamarin2023-06-091-1/+1
* sci-chemistry/tm-align: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/psi: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/procheck: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/probe: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/openbabel: destabilize for ~x86Arthur Zamarin2023-06-091-1/+1
* sci-chemistry/mustang: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/mopac7: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/molmol: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/moldy: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/molden: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/gromacs: destabilize for ~x86Arthur Zamarin2023-06-094-4/+4
* sci-chemistry/gperiodic: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/gelemental: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/elem: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/easychem: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/dssp: destabilize for ~x86Arthur Zamarin2023-06-092-4/+4
* sci-chemistry/cluster: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/clashlist: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/autodock_vina: destabilize for ~x86Arthur Zamarin2023-06-091-2/+2
* sci-chemistry/dssp: add 4.3.1Pacho Ramos2023-06-082-0/+40
* sci-chemistry/MDAnalysis: enable py3.11Pacho Ramos2023-05-201-1/+1
* sci-chemistry/MDAnalysis: Remove ~x86 because of broken depsMichał Górny2023-05-201-1/+1
* sci-chemistry/MDAnalysis: Remove oldMichał Górny2023-05-202-40/+0
* sci-chemistry/mdtraj: BDEPEND on cythonPacho Ramos2023-05-061-0/+3
* sci-chemistry/votca: enable py3.11Pacho Ramos2023-05-061-1/+1
* sci-chemistry/mdtraj: enable py3.11Pacho Ramos2023-05-052-1/+21
* sci-chemistry/GromacsWrapper: enable py3.11Pacho Ramos2023-05-041-1/+1
* sci-chemistry/vmd: flag-o_matic.eclass is not usedPacho Ramos2023-05-021-1/+1
* sci-chemistry/vmd: enable py3.11Pacho Ramos2023-05-021-1/+1
* sci-chemistry/MDAnalysis: add 2.4.3Pacho Ramos2023-05-022-0/+40
* sci-chemistry/pymol: enable py3.11Pacho Ramos2023-05-021-1/+1
* sci-chemistry/nmrglue: drop 0.7Sam James2023-05-012-26/+0
* sci-chemistry/mdtraj: add pypi upstream metadataSam James2023-05-011-0/+1
* sci-chemistry/mdtraj: drop 1.9.4Sam James2023-05-012-43/+0
* sci-chemistry/chemex: drop 2022.3.0, 2022.3.1, 2022.3.3Pacho Ramos2023-04-284-129/+0
* sci-chemistry/chemex: add 2022.3.5Pacho Ramos2023-04-282-0/+43
* sci-chemistry/gromacs: Fix build with cuda-12Alexey Shvetsov2023-04-252-1/+343
* sci-chemistry/gromacs: add 2023.1Alexey Shvetsov2023-04-252-0/+334
* sci-chemistry/prekin: treecleanDavid Seifert2023-04-216-157/+0
* sci-chemistry/chemex: add 2022.3.4Pacho Ramos2023-04-202-0/+43
* sci-chemistry/chemex: add 2022.3.3Pacho Ramos2023-04-192-0/+43
* sci-chemistry/dssp: drop 4.2.0Pacho Ramos2023-04-182-32/+0
* sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 arm, #904470Sam James2023-04-171-1/+1