| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/gromacs: Fix build with cuda-12 | Alexey Shvetsov | 2023-04-25 | 2 | -1/+343 |
* | sci-chemistry/gromacs: add 2023.1 | Alexey Shvetsov | 2023-04-25 | 2 | -0/+334 |
* | sci-chemistry/prekin: treeclean | David Seifert | 2023-04-21 | 6 | -157/+0 |
* | sci-chemistry/chemex: add 2022.3.4 | Pacho Ramos | 2023-04-20 | 2 | -0/+43 |
* | sci-chemistry/chemex: add 2022.3.3 | Pacho Ramos | 2023-04-19 | 2 | -0/+43 |
* | sci-chemistry/dssp: drop 4.2.0 | Pacho Ramos | 2023-04-18 | 2 | -32/+0 |
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 arm, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 |
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 x86, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 |
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 amd64, #904470 | Sam James | 2023-04-17 | 1 | -1/+1 |
* | sci-chemistry/chemical-mime-data: Stabilize 0.1.95_pre20171122 arm64, #904470 | Jakov Smolić | 2023-04-17 | 1 | -1/+1 |
* | sci-chemistry/chemex: drop 2022.2.0 | Pacho Ramos | 2023-04-17 | 2 | -43/+0 |
* | sci-chemistry/chemex: add 2022.3.1 | Pacho Ramos | 2023-04-17 | 2 | -0/+43 |
* | Rename dev-python/{jupyter_client → jupyter-client} | Michał Górny | 2023-04-14 | 2 | -2/+2 |
* | sci-chemistry/chemical-mime-data: Add forgotten patch | Pacho Ramos | 2023-03-21 | 1 | -0/+47 |
* | sci-chemistry/chemical-mime-data: add github upstream metadata | Pacho Ramos | 2023-03-20 | 1 | -7/+8 |
* | sci-chemistry/chemical-mime-data: add 0.1.95_pre20171122 | Pacho Ramos | 2023-03-20 | 2 | -0/+52 |
* | sci-chemistry/MDAnalysis: Use pypi.eclass | Michał Górny | 2023-03-17 | 1 | -2/+2 |
* | sci-chemistry/mdtraj: Use pypi.eclass | Michał Górny | 2023-03-16 | 1 | -2/+1 |
* | */*: Reassign junghans's packages | Michał Górny | 2023-03-04 | 1 | -4/+0 |
* | sci-chemistry/dssp: drop 4.0.4 | Pacho Ramos | 2023-02-26 | 2 | -32/+0 |
* | sci-chemistry/dssp: add 4.2.2.1 | Pacho Ramos | 2023-02-26 | 2 | -0/+32 |
* | sci-chemistry/chemex: drop 2022.0.1-r1, 2022.1.0 | Pacho Ramos | 2023-02-26 | 3 | -86/+0 |
* | sci-chemistry/chemex: add 2022.3.0 | Pacho Ramos | 2023-02-26 | 2 | -0/+43 |
* | sci-chemistry/nmrglue: enable py3.11 | Andrew Ammerlaan | 2023-02-24 | 1 | -2/+2 |
* | sci-chemistry/openbabel: enable py3.11 | Andrew Ammerlaan | 2023-02-23 | 3 | -4/+5 |
* | sci-chemistry/autodock: simplify stubbed out test/py2 cruft | Sam James | 2023-02-17 | 1 | -23/+15 |
* | sci-chemistry/gromacs: add 2023, drop 2023_rc1 | Alexey Shvetsov | 2023-02-14 | 2 | -3/+3 |
* | sci-chemistry/gromacs: add 2022.5 | Alexey Shvetsov | 2023-02-14 | 2 | -0/+336 |
* | Rename dev-python/{sphinx_rtd_theme → sphinx-rtd-theme} | Michał Górny | 2023-02-14 | 1 | -1/+1 |
* | sci-chemistry/pymol: support msgpack-5 | Marek Szuba | 2023-02-07 | 2 | -100/+1 |
* | sci-chemistry/pymol: account for dev-libs/msgpack without IUSE=cxx | Marek Szuba | 2023-02-05 | 2 | -2/+2 |
* | sci-chemistry/gromacs: Revert changes related to wchar | Alexey Shvetsov | 2023-02-02 | 5 | -5/+5 |
* | sci-chemistry/gromacs: add 2021.7 | Alexey Shvetsov | 2023-02-02 | 2 | -0/+355 |
* | sci-chemistry/gromacs: drop 2021.9999 | Andreas Sturmlechner | 2023-02-01 | 1 | -350/+0 |
* | sci-chemistry/gromacs: drop versions | Alexey Shvetsov | 2023-01-30 | 6 | -1646/+0 |
* | sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551 | Arthur Zamarin | 2023-01-28 | 1 | -1/+1 |
* | sci-chemistry/gnome-chemistry-utils: Fix dependency | Pacho Ramos | 2023-01-28 | 1 | -2/+2 |
* | sci-chemistry/votca-csg: treeclean | Jakov Smolić | 2023-01-27 | 4 | -202/+0 |
* | sci-chemistry/votca-csgapps: treeclean | Jakov Smolić | 2023-01-27 | 3 | -46/+0 |
* | sci-chemistry/votca-xtp: treeclean | Jakov Smolić | 2023-01-27 | 4 | -110/+0 |
* | sci-chemistry/chemex: add github upstream metadata | Pacho Ramos | 2023-01-24 | 1 | -0/+3 |
* | sci-chemistry/chemex: add 2022.2.0 | Pacho Ramos | 2023-01-24 | 2 | -0/+43 |
* | */*: remove py3.8 from PYTHON_COMPAT | David Seifert | 2023-01-14 | 29 | -46/+46 |