| Commit message (Collapse) | Author | Age | Files | Lines | |
|---|---|---|---|---|---|
| * | 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> | ||||
| * | sci-chemistry/dssp: add 4.2.2.1 | Pacho Ramos | 2023-02-26 | 2 | -0/+32 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/chemex: drop 2022.0.1-r1, 2022.1.0 | Pacho Ramos | 2023-02-26 | 3 | -86/+0 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/chemex: add 2022.3.0 | Pacho Ramos | 2023-02-26 | 2 | -0/+43 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/nmrglue: enable py3.11 |   Andrew Ammerlaan | 2023-02-24 | 1 | -2/+2 |
| | | | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org> | ||||
| * | sci-chemistry/openbabel: enable py3.11 | Andrew Ammerlaan | 2023-02-23 | 3 | -4/+5 |
| | | | | | Signed-off-by: Andrew Ammerlaan <andrewammerlaan@gentoo.org> | ||||
| * | sci-chemistry/autodock: simplify stubbed out test/py2 cruft |   Sam James | 2023-02-17 | 1 | -23/+15 |
| | | | | | | | | Leave the non-trivial bit but the rest is obvious and could be restored easily. Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: add 2023, drop 2023_rc1 |   Alexey Shvetsov | 2023-02-14 | 2 | -3/+3 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: add 2022.5 | Alexey Shvetsov | 2023-02-14 | 2 | -0/+336 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | Rename dev-python/{sphinx_rtd_theme → sphinx-rtd-theme} | Michał Górny | 2023-02-14 | 1 | -1/+1 |
| | | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> | ||||
| * | sci-chemistry/pymol: support msgpack-5 |   Marek Szuba | 2023-02-07 | 2 | -100/+1 |
| | | | | | | | | Tested, builds fine against =dev-cpp/msgpack-cxx-5.0.0. Closes: https://bugs.gentoo.org/893314 Signed-off-by: Marek Szuba <marecki@gentoo.org> | ||||
| * | sci-chemistry/pymol: account for dev-libs/msgpack without IUSE=cxx | Marek Szuba | 2023-02-05 | 2 | -2/+2 |
| | | | | | | | | | No revbump because this isn't finished yet - for newer versions of msgpack PyMol should depend on dev-cpp/msgpack-cxx, however compatibility with that package has not been tested yet. Signed-off-by: Marek Szuba <marecki@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Revert changes related to wchar | Alexey Shvetsov | 2023-02-02 | 5 | -5/+5 |
| | | | | | | | This reverts commit b26ca4509f03b1cbf969c0735fefc98e2da3f5aa. Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: add 2021.7 | Alexey Shvetsov | 2023-02-02 | 2 | -0/+355 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: drop 2021.9999 |   Andreas Sturmlechner | 2023-02-01 | 1 | -350/+0 |
| | | | | | | | No more development? Last commit happened two years ago. Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> | ||||
| * | sci-chemistry/gromacs: drop versions | Alexey Shvetsov | 2023-01-30 | 6 | -1646/+0 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555 |   Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
| | | | | | Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> | ||||
| * | sci-chemistry/gnome-chemistry-utils: Fix dependency | Pacho Ramos | 2023-01-28 | 1 | -2/+2 |
| | | | | | | Closes: https://bugs.gentoo.org/891811 Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/votca-csg: treeclean |   Jakov Smolić | 2023-01-27 | 4 | -202/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/votca-csgapps: treeclean | Jakov Smolić | 2023-01-27 | 3 | -46/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/votca-xtp: treeclean | Jakov Smolić | 2023-01-27 | 4 | -110/+0 |
| | | | | | Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> | ||||
| * | sci-chemistry/chemex: add github upstream metadata | Pacho Ramos | 2023-01-24 | 1 | -0/+3 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | sci-chemistry/chemex: add 2022.2.0 | Pacho Ramos | 2023-01-24 | 2 | -0/+43 |
| | | | | | Signed-off-by: Pacho Ramos <pacho@gentoo.org> | ||||
| * | */*: remove py3.8 from PYTHON_COMPAT |   David Seifert | 2023-01-14 | 29 | -46/+46 |
| | | | | | Signed-off-by: David Seifert <soap@gentoo.org> | ||||
| * | */*: make mycmakeargs local | David Seifert | 2023-01-03 | 15 | -39/+39 |
| | | | | | | Closes: https://github.com/gentoo/gentoo/pull/28947 Signed-off-by: David Seifert <soap@gentoo.org> | ||||
| * | sci-chemistry/dssp: drop 4.0.3 | Andreas Sturmlechner | 2023-01-02 | 2 | -32/+0 |
| | | | | | Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> | ||||
| * | sci-chemistry/MDAnalysis: Version bump. No longer depend on nose | Alexey Shvetsov | 2022-12-26 | 3 | -41/+5 |
| | | | | | | | Closes: https://bugs.gentoo.org/765160 Closes: https://bugs.gentoo.org/878723 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: fix muParser dep |   Christoph Junghans | 2022-12-24 | 5 | -5/+5 |
| | | | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> | ||||
| * | sci-chemistry/votca: version bump | Christoph Junghans | 2022-12-23 | 2 | -0/+81 |
| | | | | | | Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Fix manual build | Alexey Shvetsov | 2022-12-22 | 3 | -3/+3 |
| | | | | | | | Closes: https://bugs.gentoo.org/887611 Closes: https://bugs.gentoo.org/887683 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555 | Sam James | 2022-12-20 | 1 | -1/+1 |
| | | | | | Signed-off-by: Sam James <sam@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Refuse to build with double + opencl enabled | Alexey Shvetsov | 2022-12-21 | 15 | -0/+15 |
| | | | | | | | Closes: https://bugs.gentoo.org/873166 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: remove mkl-10 hack | Alexey Shvetsov | 2022-12-21 | 15 | -75/+0 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Make all uris https | Alexey Shvetsov | 2022-12-20 | 16 | -63/+127 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Add 2023.x release series | Alexey Shvetsov | 2022-12-20 | 4 | -4/+643 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Fix pep517 | Alexey Shvetsov | 2022-12-20 | 7 | -7/+14 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
| * | sci-chemistry/gromacs: Add 2022.4 and fix pep517 | Alexey Shvetsov | 2022-12-20 | 4 | -6/+9 |
| | | | | | Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> | ||||
GitWeb