| Commit message (Expand) | Author | Age | Files | Lines |
* | Move {sci-libs → dev-python}/scikit-learn |  Michał Górny | 2024-03-10 | 1 | -2/+2 |
* | sci-chemistry/autodock_vina: Fix build with recent boost |  Alexey Shvetsov | 2024-03-03 | 1 | -2/+2 |
* | sci-chemistry/gromacs: add 2023.4, drop 2023.3 |  Alexey Shvetsov | 2024-02-29 | 2 | -3/+3 |
* | sci-chemistry/gromacs: drop 2022.9999 |  Alexey Shvetsov | 2024-02-29 | 1 | -333/+0 |
* | sci-chemistry/gromacs: drop 2021.6 |  Alexey Shvetsov | 2024-02-29 | 2 | -355/+0 |
* | sci-chemistry/gromacs: drop 2022.5-r1 |  Alexey Shvetsov | 2024-02-29 | 2 | -336/+0 |
* | sci-chemistry/gromacs: drop 2023.1-r1, 2023.2 |  Alexey Shvetsov | 2024-02-29 | 3 | -676/+0 |
* | sci-chemistry/gromacs: add 2024.1 |  Alexey Shvetsov | 2024-02-29 | 2 | -0/+338 |
* | sci-chemistry/gromacs: add 2024, drop 2024_rc |  Alexey Shvetsov | 2024-02-01 | 2 | -3/+3 |
* | sci-chemistry/gromacs: add 2023.3 |  Alexey Shvetsov | 2024-01-25 | 2 | -0/+338 |
* | sci-chemistry/gromacs: destabilize for ~arm |  Matoro Mahri | 2024-01-23 | 4 | -6/+6 |
* | sci-chemistry/gromacs: add 2024_rc, drop 2024_beta |  Alexey Shvetsov | 2024-01-21 | 2 | -3/+3 |
* | Move {app-doc → app-text}/doxygen |  Michał Górny | 2024-01-12 | 20 | -39/+39 |
* | sci-chemistry/mpqc: sys-devel/flex -> app-alternatives/lex |  Sam James | 2024-01-08 | 1 | -2/+2 |
* | profiles/use.desc: Make USE=cuda global |  Michał Górny | 2023-12-26 | 1 | -1/+0 |
* | sci-chemistry/gelemental: Stabilize 2.0.2 amd64, #920146 |  Arthur Zamarin | 2023-12-16 | 1 | -1/+1 |
* | sci-chemistry/cluster: Stabilize 1.3.081231-r2 amd64, #920145 |  Arthur Zamarin | 2023-12-16 | 1 | -1/+1 |
* | sci-chemistry/votca: Stabilize 2022.1 amd64, #920126 |  Arthur Zamarin | 2023-12-16 | 1 | -1/+1 |
* | sci-chemistry/gromacs: add 2024_beta, 2024.9999 |  Alexey Shvetsov | 2023-11-25 | 3 | -0/+673 |
* | sci-chemistry/wxmacmolplt: add github upstream metadata |  Pacho Ramos | 2023-11-24 | 1 | -7/+10 |
* | sci-chemistry/wxmacmolplt: add 7.7.2 |  Pacho Ramos | 2023-11-24 | 2 | -0/+48 |
* | sci-chemistry/openbabel: Works with wxGTK 3.2 |  Pacho Ramos | 2023-11-24 | 2 | -1/+281 |
* | sci-chemistry/chemtool: Use transfig from fig2dev |  Pacho Ramos | 2023-11-12 | 2 | -0/+56 |
* | sci-chemistry/gromacs: enable py3.12 |  Alexey Shvetsov | 2023-11-01 | 10 | -10/+10 |
* | sci-chemistry/gromacs: add quotes for ${HOME} |  Alexey Shvetsov | 2023-11-01 | 10 | -20/+20 |
* | sci-chemistry/gromacs: disable py3.9 |  Alexey Shvetsov | 2023-11-01 | 10 | -10/+10 |
* | sci-chemistry/gromacs: Fix urls |  Alexey Shvetsov | 2023-11-01 | 12 | -32/+32 |
* | sci-chemistry/easychem: revbump for clang-16 fix |  Andrew Ammerlaan | 2023-10-27 | 1 | -0/+0 |
* | sci-chemistry/easychem: Fix build with clang 16 |  Brahmajit Das | 2023-10-27 | 2 | -1/+15 |
* | sci-chemistry/dssp: add 4.4.4.1 |  Pacho Ramos | 2023-10-26 | 2 | -0/+55 |
* | sci-chemistry/gromacs: Fix compilation with gcc-13 |  Pacho Ramos | 2023-10-20 | 2 | -0/+13 |
* | sci-chemistry/msms-bin: Fix download location |  Pacho Ramos | 2023-10-19 | 1 | -2/+2 |
* | 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 |