| Commit message (Expand) | Author | Age | Files | Lines |
* | sci-chemistry/MDAnalysis: add 2.6.1, drop 2.4.3 | Alexey Shvetsov | 2023-10-14 | 2 | -1/+1 |
* | Rename dev-python/{pytables → tables} | Michał Górny | 2023-10-05 | 1 | -2/+2 |
* | sci-chemistry/molequeue: fix VariableShadowed | Arthur Zamarin | 2023-09-19 | 1 | -7/+5 |
* | sci-chemistry/tinker: update EAPI 6 -> 8 | Volkmar W. Pogatzki | 2023-09-17 | 2 | -14/+19 |
* | sci-chemistry/chemex: drop 2022.3.4 | Pacho Ramos | 2023-09-17 | 2 | -43/+0 |
* | sci-chemistry/chemex: add 2022.3.6 | Pacho Ramos | 2023-09-17 | 2 | -0/+44 |
* | sci-chemistry/GromacsWrapper: drop 0.8.2 | Pacho Ramos | 2023-09-17 | 2 | -41/+0 |
* | sci-chemistry/GromacsWrapper: add 0.8.5 | Pacho Ramos | 2023-09-17 | 2 | -0/+41 |
* | sci-chemistry/autodock: update EAPI 7 -> 8, update HOMEPAGE, SRC_URI | Brahmajit Das | 2023-09-14 | 2 | -0/+112 |
* | sci-chemistry/cluster: Fix error: ISO C++17 does not allow register storage c... | Brahmajit Das | 2023-09-11 | 2 | -0/+54 |
* | sci-chemistry/gelemental: remove unused patch(es) | Michael Mair-Keimberger | 2023-08-14 | 1 | -18/+0 |
* | sci-chemistry/mdtraj: depend on <cython-3 | Sam James | 2023-08-13 | 1 | -1/+2 |
* | sci-chemistry/gelemental: drop 2.0.1 | Matthias Maier | 2023-07-30 | 2 | -49/+0 |
* | sci-chemistry/gelemental: add 2.0.2 | Matthias Maier | 2023-07-30 | 2 | -0/+48 |
* | sci-chemistry/dssp: drop 4.4.0 | Pacho Ramos | 2023-07-21 | 2 | -40/+0 |
* | sci-chemistry/dssp: add 4.4.1 | Pacho Ramos | 2023-07-21 | 2 | -0/+55 |
* | sci-chemistry/pymol: Fix install on prefix | Pacho Ramos | 2023-07-20 | 1 | -1/+1 |
* | sci-chemistry/dssp: drop 4.2.2.1 | Pacho Ramos | 2023-07-20 | 2 | -32/+0 |
* | sci-chemistry/dssp: add 4.4.0 | Pacho Ramos | 2023-07-20 | 2 | -0/+40 |
* | sci-chemistry/pymol: Use PEP517 build | Pacho Ramos | 2023-07-20 | 2 | -0/+123 |
* | sci-chemistry/pymol: drop 2.5.0-r2 | Pacho Ramos | 2023-07-19 | 1 | -98/+0 |
* | sci-chemistry/pymol: Fix distutils-r1 usage | Pacho Ramos | 2023-07-19 | 1 | -7/+9 |
* | 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 |