| Commit message (Collapse) | Author | Age | Files | Lines | ||
|---|---|---|---|---|---|---|
| ... | ||||||
| * | sci-chemistry/gromacs: Needs to be rebuilt with cuda subslot changes |   Pacho Ramos | 2023-07-09 | 9 | -9/+9 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/ParmEd: add github upstream metadata |   Sam James | 2023-06-30 | 1 | -0/+3 | |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
| * | sci-chemistry/ParmEd: drop blank DEPEND/RDEPEND | Sam James | 2023-06-30 | 1 | -4/+0 | |
| | | | | | | | This makes it hard to grep for actual mistakes like DEPEND=DEPEND. Signed-off-by: Sam James <sam@gentoo.org> | |||||
| * | sci-chemistry/gromacs: Fix docs build for pdf manual |   Alexey Shvetsov | 2023-06-29 | 4 | -0/+16 | |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | |||||
| * | sci-chemistry/pymol: Drop dev-libs/msgpack[cxx(-)] to workaround portage bug | Pacho Ramos | 2023-06-24 | 1 | -0/+98 | |
| | | | | | | Bug: https://bugs.gentoo.org/872227 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/GromacsWrapper: add 0.8.4 | Pacho Ramos | 2023-06-19 | 2 | -0/+41 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/molden: drop 5.5 |   Andreas Sturmlechner | 2023-06-10 | 7 | -162/+0 | |
| | | | | | | Closes: https://bugs.gentoo.org/867223 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> | |||||
| * | sci-chemistry/votca: destabilize for ~x86 |   Arthur Zamarin | 2023-06-09 | 1 | -1/+1 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/tm-align: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/psi: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/procheck: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/probe: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/openbabel: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -1/+1 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/mustang: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/mopac7: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/molmol: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/moldy: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/molden: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/gromacs: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 4 | -4/+4 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/gperiodic: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/gelemental: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/elem: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/easychem: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/dssp: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 2 | -4/+4 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/cluster: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/clashlist: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/autodock_vina: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 | |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | |||||
| * | sci-chemistry/dssp: add 4.3.1 | Pacho Ramos | 2023-06-08 | 2 | -0/+40 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/MDAnalysis: enable py3.11 | Pacho Ramos | 2023-05-20 | 1 | -1/+1 | |
| | | | | | | Closes: https://bugs.gentoo.org/897194 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/MDAnalysis: Remove ~x86 because of broken deps |   Michał Górny | 2023-05-20 | 1 | -1/+1 | |
| | | | | | | Bug: https://bugs.gentoo.org/833832 Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
| * | sci-chemistry/MDAnalysis: Remove old | Michał Górny | 2023-05-20 | 2 | -40/+0 | |
| | | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
| * | sci-chemistry/mdtraj: BDEPEND on cython | Pacho Ramos | 2023-05-06 | 1 | -0/+3 | |
| | | | | | | Closes: https://bugs.gentoo.org/905782 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/votca: enable py3.11 | Pacho Ramos | 2023-05-06 | 1 | -1/+1 | |
| | | | | | | Closes: https://bugs.gentoo.org/897206 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/mdtraj: enable py3.11 | Pacho Ramos | 2023-05-05 | 2 | -1/+21 | |
| | | | | | | Closes: https://bugs.gentoo.org/897198 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/GromacsWrapper: enable py3.11 | Pacho Ramos | 2023-05-04 | 1 | -1/+1 | |
| | | | | | | Closes: https://bugs.gentoo.org/897192 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/vmd: flag-o_matic.eclass is not used | Pacho Ramos | 2023-05-02 | 1 | -1/+1 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/vmd: enable py3.11 | Pacho Ramos | 2023-05-02 | 1 | -1/+1 | |
| | | | | | | Closes: https://bugs.gentoo.org/897204 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/MDAnalysis: add 2.4.3 | Pacho Ramos | 2023-05-02 | 2 | -0/+40 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/pymol: enable py3.11 | Pacho Ramos | 2023-05-02 | 1 | -1/+1 | |
| | | | | | | Closes: https://bugs.gentoo.org/897202 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/nmrglue: drop 0.7 | Sam James | 2023-05-01 | 2 | -26/+0 | |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
| * | sci-chemistry/mdtraj: add pypi upstream metadata | Sam James | 2023-05-01 | 1 | -0/+1 | |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
| * | sci-chemistry/mdtraj: drop 1.9.4 | Sam James | 2023-05-01 | 2 | -43/+0 | |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
| * | sci-chemistry/chemex: drop 2022.3.0, 2022.3.1, 2022.3.3 | Pacho Ramos | 2023-04-28 | 4 | -129/+0 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/chemex: add 2022.3.5 | Pacho Ramos | 2023-04-28 | 2 | -0/+43 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/gromacs: Fix build with cuda-12 | Alexey Shvetsov | 2023-04-25 | 2 | -1/+343 | |
| | | | | | | | | Thanks to pacho@gentoo.org for patch Closes: https://bugs.gentoo.org/900204 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | |||||
| * | sci-chemistry/gromacs: add 2023.1 | Alexey Shvetsov | 2023-04-25 | 2 | -0/+334 | |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | |||||
| * | sci-chemistry/prekin: treeclean |   David Seifert | 2023-04-21 | 6 | -157/+0 | |
| | | | | | | Closes: https://bugs.gentoo.org/862438 Signed-off-by: David Seifert <soap@gentoo.org> | |||||
| * | sci-chemistry/chemex: add 2022.3.4 | Pacho Ramos | 2023-04-20 | 2 | -0/+43 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/chemex: add 2022.3.3 | Pacho Ramos | 2023-04-19 | 2 | -0/+43 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
| * | sci-chemistry/dssp: drop 4.2.0 | Pacho Ramos | 2023-04-18 | 2 | -32/+0 | |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
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