Commit message (Collapse) | Author | Age | Files | Lines | ||
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* | 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> | |||||
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 arm, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 | |
| | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 x86, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 | |
| | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 amd64, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 | |
| | | | | Signed-off-by: Sam James <sam@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 arm64, #904470 | Jakov Smolić | 2023-04-17 | 1 | -1/+1 | |
| | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | |||||
* | sci-chemistry/chemex: drop 2022.2.0 | Pacho Ramos | 2023-04-17 | 2 | -43/+0 | |
| | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
* | sci-chemistry/chemex: add 2022.3.1 | Pacho Ramos | 2023-04-17 | 2 | -0/+43 | |
| | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
* | Rename dev-python/{jupyter_client → jupyter-client} | Michał Górny | 2023-04-14 | 2 | -2/+2 | |
| | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: Add forgotten patch | Pacho Ramos | 2023-03-21 | 1 | -0/+47 | |
| | | | | | Closes: https://bugs.gentoo.org/902497 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: add github upstream metadata | Pacho Ramos | 2023-03-20 | 1 | -7/+8 | |
| | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
* | sci-chemistry/chemical-mime-data: add 0.1.95_pre20171122 | Pacho Ramos | 2023-03-20 | 2 | -0/+52 | |
| | | | | | | Closes: https://bugs.gentoo.org/578628 Closes: https://bugs.gentoo.org/710906 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | |||||
* | sci-chemistry/MDAnalysis: Use pypi.eclass | Michał Górny | 2023-03-17 | 1 | -2/+2 | |
| | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
* | sci-chemistry/mdtraj: Use pypi.eclass | Michał Górny | 2023-03-16 | 1 | -2/+1 | |
| | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
* | */*: Reassign junghans's packages | Michał Górny | 2023-03-04 | 1 | -4/+0 | |
| | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | |||||
* | sci-chemistry/dssp: drop 4.0.4 | Pacho Ramos | 2023-02-26 | 2 | -32/+0 | |
| | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> |