| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/gromacs: drop 2024.1, 2024.2 | Alexey Shvetsov | 2024-10-18 | 3 | -676/+0 |
* | sci-chemistry/gromacs: add 2024.3 | Alexey Shvetsov | 2024-10-18 | 2 | -0/+338 |
* | sci-chemistry/gromacs: drop 2023.4 | Alexey Shvetsov | 2024-10-18 | 2 | -338/+0 |
* | sci-chemistry/gromacs: add 2023.5 | Alexey Shvetsov | 2024-10-18 | 2 | -0/+338 |
* | sci-chemistry/molmol: drop 2k_p2-r8 | Pacho Ramos | 2024-10-17 | 1 | -102/+0 |
* | sci-chemistry/molmol: Really disable parallel build | Pacho Ramos | 2024-10-17 | 1 | -1/+7 |
* | sci-chemistry/dssp: add 4.4.10 | Pacho Ramos | 2024-10-17 | 2 | -0/+56 |
* | sci-chemistry/dssp: drop 4.4.4.1 | Pacho Ramos | 2024-10-17 | 2 | -55/+0 |
* | sci-chemistry/dssp: add 4.4.8 | Pacho Ramos | 2024-10-17 | 2 | -0/+56 |
* | sci-chemistry/pymol: Multiple bugfixes | Pacho Ramos | 2024-09-28 | 7 | -0/+485 |
* | sci-chemistry/chemical-mime-data: drop 0.1.94-r4 and it's patches | Filip Kobierski | 2024-09-25 | 7 | -198/+0 |
* | sci-chemistry/GromacsWrapper: remove empty variables | Filip Kobierski | 2024-09-25 | 1 | -3/+1 |
* | sci-chemistry/GromacsWrapper: drop 0.8.4 | Filip Kobierski | 2024-09-25 | 2 | -41/+0 |
* | sci-chemistry/chemical-mime-data: fix pkgcheck issues | Filip Kobierski | 2024-09-25 | 1 | -4/+2 |
* | sci-chemistry/mopac7: mark as LTO-unsafe | Eli Schwartz | 2024-09-09 | 1 | -1/+7 |
* | sci-chemistry/pymol: mark as LTO-unsafe | Eli Schwartz | 2024-09-05 | 1 | -0/+5 |
* | sci-chemistry/pymol: drop a bunch of dependencies to runtime-only | Eli Schwartz | 2024-09-05 | 1 | -6/+7 |
* | sci-chemistry/tinker: mark as LTO-unsafe | Eli Schwartz | 2024-08-05 | 1 | -1/+6 |
* | sci-chemistry/votca: sync live ebuild | Pacho Ramos | 2024-07-31 | 1 | -3/+3 |
* | sci-chemistry/votca: support py3.12 | Pacho Ramos | 2024-07-31 | 1 | -2/+2 |
* | sci-chemistry/openbabel: sync live ebuild | Pacho Ramos | 2024-07-30 | 1 | -4/+8 |
* | sci-chemistry/openbabel: enable py3.12 | Pacho Ramos | 2024-07-30 | 1 | -1/+1 |
* | sci-chemistry/propka: add 3.5.1 | Pacho Ramos | 2024-07-30 | 2 | -0/+29 |
* | sci-chemistry/procheck: treeclean | Arthur Zamarin | 2024-07-19 | 5 | -182/+0 |
* | sci-chemistry/aqua: treeclean | Arthur Zamarin | 2024-07-19 | 4 | -191/+0 |
* | sci-chemistry/xyza2pipe: treeclean | Arthur Zamarin | 2024-07-19 | 4 | -211/+0 |
* | sci-chemistry/namd: treeclean | Arthur Zamarin | 2024-07-19 | 5 | -271/+0 |
* | sci-chemistry/autodock_vina: Stabilize 1.2.5 amd64, #935909 | Arthur Zamarin | 2024-07-13 | 1 | -1/+1 |
* | sci-chemistry/autodock_vina: fix build w/ boost-1.85 | Sam James | 2024-07-12 | 2 | -0/+22 |
* | sci-chemistry/vmd: Fix compat with numpy-2 and don't mess with linking | Pacho Ramos | 2024-07-11 | 1 | -0/+263 |
* | sci-chemistry/molmol: Stabilize 2k_p2-r9 amd64, #935856 | Jakov Smolić | 2024-07-11 | 1 | -1/+1 |
* | sci-chemistry/wxmacmolplt: drop 7.5-r1 | Pacho Ramos | 2024-07-05 | 3 | -60/+0 |
* | sci-chemistry/xds-bin: drop 20170930 | Arthur Zamarin | 2024-07-05 | 2 | -49/+1 |
* | sci-chemistry/xds-bin: add 20240831 | Markus Meier | 2024-07-05 | 2 | -1/+59 |
* | sci-chemistry/openbabel: drop 3.1.1_p20210225 | Andreas Sturmlechner | 2024-06-29 | 1 | -280/+0 |
* | */*: delete some utterly bogus remote-ids | Eli Schwartz | 2024-06-28 | 1 | -3/+0 |
* | sci-chemistry/chemex: fix mysterious overdependency on tomli | Eli Schwartz | 2024-06-27 | 2 | -2/+0 |
* | sci-chemistry/gromacs: Add ~riscv keyword | Alexey Shvetsov | 2024-06-23 | 4 | -4/+4 |
* | sci-chemistry/threeV: EAPI 6 -> 8 | Arthur Zamarin | 2024-06-21 | 1 | -12/+5 |
* | sci-chemistry/chemex: drop 2022.3.6, 2024.02.16 | Pacho Ramos | 2024-06-16 | 3 | -90/+0 |
* | sci-chemistry/chemex: add 2024.05.3 | Pacho Ramos | 2024-06-16 | 2 | -0/+46 |
* | sci-chemistry/elem: unkeyword 1.0.3-r3 for sparc | Arthur Zamarin | 2024-06-13 | 1 | -1/+1 |
* | sci-chemistry/elem: EAPI 6 -> 8 | Arthur Zamarin | 2024-06-13 | 1 | -2/+2 |
* | sci-chemistry/vmd: enable py3.12 | Alexey Shvetsov | 2024-06-05 | 1 | -6/+4 |
* | sci-chemistry/MDAnalysis: enable py3.12 | Alexey Shvetsov | 2024-06-05 | 1 | -3/+3 |
* | sci-chemistry/molequeue: enable py3.12 | Andreas K. Hüttel | 2024-06-04 | 1 | -1/+1 |
* | sci-chemistry/dssp: Add missing dependency | Pacho Ramos | 2024-06-01 | 1 | -1/+3 |
* | sci-chemistry/chemex: add 2024.05.2 | Pacho Ramos | 2024-06-01 | 2 | -0/+46 |
* | sci-chemistry/molmol: Fix pkgcheck warnings | Pacho Ramos | 2024-05-18 | 1 | -4/+1 |
* | sci-chemistry/molmol: Fix passing incompatible pointer type | Brahmajit Das | 2024-05-18 | 2 | -0/+118 |