| Commit message (Expand) | Author | Age | Files | Lines |
* | */*: remove py3.8 from PYTHON_COMPAT | David Seifert | 2023-01-14 | 29 | -46/+46 |
* | */*: make mycmakeargs local | David Seifert | 2023-01-03 | 15 | -39/+39 |
* | sci-chemistry/dssp: drop 4.0.3 | Andreas Sturmlechner | 2023-01-02 | 2 | -32/+0 |
* | sci-chemistry/MDAnalysis: Version bump. No longer depend on nose | Alexey Shvetsov | 2022-12-26 | 3 | -41/+5 |
* | sci-chemistry/gromacs: fix muParser dep | Christoph Junghans | 2022-12-24 | 5 | -5/+5 |
* | sci-chemistry/votca: version bump | Christoph Junghans | 2022-12-23 | 2 | -0/+81 |
* | sci-chemistry/gromacs: Fix manual build | Alexey Shvetsov | 2022-12-22 | 3 | -3/+3 |
* | sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555 | Sam James | 2022-12-20 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Refuse to build with double + opencl enabled | Alexey Shvetsov | 2022-12-21 | 15 | -0/+15 |
* | sci-chemistry/gromacs: remove mkl-10 hack | Alexey Shvetsov | 2022-12-21 | 15 | -75/+0 |
* | sci-chemistry/gromacs: Make all uris https | Alexey Shvetsov | 2022-12-20 | 16 | -63/+127 |
* | sci-chemistry/gromacs: Add 2023.x release series | Alexey Shvetsov | 2022-12-20 | 4 | -4/+643 |
* | sci-chemistry/gromacs: Fix pep517 | Alexey Shvetsov | 2022-12-20 | 7 | -7/+14 |
* | sci-chemistry/gromacs: Add 2022.4 and fix pep517 | Alexey Shvetsov | 2022-12-20 | 4 | -6/+9 |
* | sci-chemistry/raster3d: add media-libs/libtiff subslot dep | Sam James | 2022-12-16 | 1 | -2/+2 |
* | sci-chemistry/molmol: add media-libs/libtiff subslot dep | Sam James | 2022-12-16 | 1 | -2/+2 |
* | sci-chemistry/dssp: Keyword 4.2.0 x86, #884313 | Arthur Zamarin | 2022-12-05 | 1 | -1/+1 |
* | sci-chemistry/dssp: add github upstream metadata | Pacho Ramos | 2022-12-04 | 1 | -0/+3 |
* | sci-chemistry/dssp: add 4.2.0 | Pacho Ramos | 2022-12-04 | 2 | -0/+32 |
* | sci-chemistry/molmol: Drop unused eclass | Pacho Ramos | 2022-11-20 | 1 | -1/+1 |
* | sci-chemistry/molmol: Fix sed usage | Pacho Ramos | 2022-11-20 | 2 | -11/+10 |
* | sci-chemistry/mdtraj: use HTTPS, fix LICENSE | Michael Mair-Keimberger | 2022-11-19 | 2 | -6/+6 |
* | sci-chemistry/molequeue: fix UnquotedVariable | Arthur Zamarin | 2022-11-10 | 1 | -1/+1 |
* | sci-chemistry/GromacsWrapper: remove unused patch(es) | Michael Mair-Keimberger | 2022-10-30 | 1 | -11/+0 |
* | sci-chemistry/GromacsWrapper: add 0.8.2, drop 0.8.0-r1 | Alexey Shvetsov | 2022-10-29 | 2 | -7/+3 |
* | sci-chemistry/chemex: drop 2021.4.0_p6-r1 | Pacho Ramos | 2022-10-25 | 2 | -41/+0 |
* | sci-chemistry/chemex: add 2022.1.0 | Pacho Ramos | 2022-10-25 | 2 | -0/+43 |
* | sci-chemistry/wxmacmolplt: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -2/+2 |
* | sci-chemistry/tm-align: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -14/+14 |
* | sci-chemistry/suitename: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -13/+13 |
* | sci-chemistry/pdbmat: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -13/+13 |
* | sci-chemistry/pdbcat: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -15/+15 |
* | sci-chemistry/nmrglue: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -15/+15 |
* | sci-chemistry/cluster: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -8/+8 |
* | sci-chemistry/clashlist: align longdescription opening and closing tags | Petr Vaněk | 2022-10-20 | 1 | -7/+7 |
* | sci-chemistry/vmd: drop 1.9.4_alpha55 | Sam James | 2022-10-16 | 2 | -271/+0 |
* | sci-chemistry/cara-bin: depend on glibc (binpkg) | Sam James | 2022-10-08 | 1 | -1/+2 |
* | sci-chemistry/nmrglue: add 0.9 | Andrew Ammerlaan | 2022-10-05 | 2 | -0/+32 |
* | sci-chemistry/chemex: Use PEP517 build | Michał Górny | 2022-09-18 | 2 | -19/+7 |
* | sci-chemistry/chemex: add 2022.0.1 | Pacho Ramos | 2022-09-18 | 2 | -0/+49 |
* | sci-chemistry/chemex: Revert "add 2022.0.1" | Michał Górny | 2022-09-18 | 2 | -49/+0 |
* | sci-chemistry/chemex: add 2022.0.1 | Pacho Ramos | 2022-09-18 | 2 | -0/+49 |
* | sci-chemistry/gromacs: add 2021.6 | Alexey Shvetsov | 2022-09-15 | 2 | -0/+358 |
* | sci-chemistry/gromacs: add 2022.3, drop 2022.1 | Alexey Shvetsov | 2022-09-15 | 2 | -4/+4 |
* | sci-chemistry/avogadro2: add 1.97.0 | Andrew Ammerlaan | 2022-09-07 | 2 | -0/+84 |
* | sci-chemistry/dssp: remove stale boost lower bounds | David Seifert | 2022-09-04 | 2 | -2/+2 |
* | sci-chemistry/dssp: remove boost[threads(+)] usedep | David Seifert | 2022-09-04 | 4 | -6/+6 |
* | sci-chemistry/autodock_vina: remove boost[threads(+)] usedep | David Seifert | 2022-09-04 | 1 | -2/+2 |
* | sci-chemistry/molmol: fix MissingUseDepDefault | Sam James | 2022-09-01 | 1 | -5/+8 |
* | sci-chemistry/molden: Stabilize 6.9-r1 amd64, #867223 | Jakov Smolić | 2022-08-30 | 1 | -1/+1 |