| Commit message (Collapse) | Author | Age | Files | Lines | |
|---|---|---|---|---|---|
| * | sci-chemistry/dssp: drop 4.4.0 |   Pacho Ramos | 2023-07-21 | 2 | -40/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/dssp: add 4.4.1 | Pacho Ramos | 2023-07-21 | 2 | -0/+55 |
| | | | | | | Closes: https://bugs.gentoo.org/910585 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/pymol: Fix install on prefix | Pacho Ramos | 2023-07-20 | 1 | -1/+1 |
| | | | | | | | Thanks-to: hsk17 Bug: https://bugs.gentoo.org/910021 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/dssp: drop 4.2.2.1 | Pacho Ramos | 2023-07-20 | 2 | -32/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/dssp: add 4.4.0 | Pacho Ramos | 2023-07-20 | 2 | -0/+40 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/pymol: Use PEP517 build | Pacho Ramos | 2023-07-20 | 2 | -0/+123 |
| | | | | | | Closes: https://bugs.gentoo.org/910021 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/pymol: drop 2.5.0-r2 | Pacho Ramos | 2023-07-19 | 1 | -98/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/pymol: Fix distutils-r1 usage | Pacho Ramos | 2023-07-19 | 1 | -7/+9 |
| | | | | | | | Thanks-to: Sam James Closes: https://bugs.gentoo.org/851588 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/gromacs: add 2023.2 |   Alexey Shvetsov | 2023-07-13 | 2 | -0/+338 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: add 2022.6 | Alexey Shvetsov | 2023-07-13 | 2 | -0/+336 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.7-r1 amd64, #906679 |   Sam James | 2023-07-10 | 1 | -1/+1 |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: drop 2022.4, 2023 | Pacho Ramos | 2023-07-09 | 3 | -674/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | 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> | ||||
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