| Commit message (Expand) | Author | Age | Files | Lines |
* | 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 |
* | 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 |