| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/gromacs: add 2023.2 | Alexey Shvetsov | 2023-07-13 | 2 | -0/+338 |
* | sci-chemistry/gromacs: add 2022.6 | Alexey Shvetsov | 2023-07-13 | 2 | -0/+336 |
* | sci-chemistry/gromacs: Stabilize 2021.7-r1 amd64, #906679 | Sam James | 2023-07-10 | 1 | -1/+1 |
* | sci-chemistry/gromacs: drop 2022.4, 2023 | Pacho Ramos | 2023-07-09 | 3 | -674/+0 |
* | sci-chemistry/gromacs: Needs to be rebuilt with cuda subslot changes | Pacho Ramos | 2023-07-09 | 9 | -9/+9 |
* | sci-chemistry/ParmEd: add github upstream metadata | Sam James | 2023-06-30 | 1 | -0/+3 |
* | sci-chemistry/ParmEd: drop blank DEPEND/RDEPEND | Sam James | 2023-06-30 | 1 | -4/+0 |
* | sci-chemistry/gromacs: Fix docs build for pdf manual | Alexey Shvetsov | 2023-06-29 | 4 | -0/+16 |
* | sci-chemistry/pymol: Drop dev-libs/msgpack[cxx(-)] to workaround portage bug | Pacho Ramos | 2023-06-24 | 1 | -0/+98 |
* | sci-chemistry/GromacsWrapper: add 0.8.4 | Pacho Ramos | 2023-06-19 | 2 | -0/+41 |
* | sci-chemistry/molden: drop 5.5 | Andreas Sturmlechner | 2023-06-10 | 7 | -162/+0 |
* | sci-chemistry/votca: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -1/+1 |
* | sci-chemistry/tm-align: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/psi: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/procheck: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/probe: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/openbabel: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -1/+1 |
* | sci-chemistry/mustang: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/mopac7: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/molmol: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/moldy: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/molden: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/gromacs: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 4 | -4/+4 |
* | sci-chemistry/gperiodic: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/gelemental: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/elem: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/easychem: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/dssp: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 2 | -4/+4 |
* | sci-chemistry/cluster: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/clashlist: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/autodock_vina: destabilize for ~x86 | Arthur Zamarin | 2023-06-09 | 1 | -2/+2 |
* | sci-chemistry/dssp: add 4.3.1 | Pacho Ramos | 2023-06-08 | 2 | -0/+40 |
* | sci-chemistry/MDAnalysis: enable py3.11 | Pacho Ramos | 2023-05-20 | 1 | -1/+1 |
* | sci-chemistry/MDAnalysis: Remove ~x86 because of broken deps | Michał Górny | 2023-05-20 | 1 | -1/+1 |
* | sci-chemistry/MDAnalysis: Remove old | Michał Górny | 2023-05-20 | 2 | -40/+0 |
* | sci-chemistry/mdtraj: BDEPEND on cython | Pacho Ramos | 2023-05-06 | 1 | -0/+3 |
* | sci-chemistry/votca: enable py3.11 | Pacho Ramos | 2023-05-06 | 1 | -1/+1 |
* | sci-chemistry/mdtraj: enable py3.11 | Pacho Ramos | 2023-05-05 | 2 | -1/+21 |
* | sci-chemistry/GromacsWrapper: enable py3.11 | Pacho Ramos | 2023-05-04 | 1 | -1/+1 |
* | sci-chemistry/vmd: flag-o_matic.eclass is not used | Pacho Ramos | 2023-05-02 | 1 | -1/+1 |
* | sci-chemistry/vmd: enable py3.11 | Pacho Ramos | 2023-05-02 | 1 | -1/+1 |
* | sci-chemistry/MDAnalysis: add 2.4.3 | Pacho Ramos | 2023-05-02 | 2 | -0/+40 |
* | sci-chemistry/pymol: enable py3.11 | Pacho Ramos | 2023-05-02 | 1 | -1/+1 |
* | sci-chemistry/nmrglue: drop 0.7 | Sam James | 2023-05-01 | 2 | -26/+0 |
* | sci-chemistry/mdtraj: add pypi upstream metadata | Sam James | 2023-05-01 | 1 | -0/+1 |
* | sci-chemistry/mdtraj: drop 1.9.4 | Sam James | 2023-05-01 | 2 | -43/+0 |
* | sci-chemistry/chemex: drop 2022.3.0, 2022.3.1, 2022.3.3 | Pacho Ramos | 2023-04-28 | 4 | -129/+0 |
* | sci-chemistry/chemex: add 2022.3.5 | Pacho Ramos | 2023-04-28 | 2 | -0/+43 |
* | 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 |