| Commit message (Expand) | Author | Age | Files | Lines |
* | 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 |
* | sci-chemistry/surf: Stabilize 1.0 amd64, #867223 | Jakov Smolić | 2022-08-30 | 1 | -2/+2 |
* | sci-chemistry/numbat: treeclean | Jakov Smolić | 2022-08-29 | 4 | -118/+0 |
* | sci-chemistry/pymol: add github upstream metadata | Sam James | 2022-07-31 | 1 | -10/+11 |
* | sci-chemistry/mdtraj: add github upstream metadata | Sam James | 2022-07-30 | 1 | -4/+7 |
* | sci-chemistry/molsketch: do not rdep on linguist-tools | Andrew Ammerlaan | 2022-07-21 | 1 | -1/+1 |
* | sci-chemistry/molden: install sci-chemistry/surf instead of bundled one | Petr Vaněk | 2022-07-16 | 1 | -10/+6 |
* | sci-chemistry/propka: drop 3.2.0 | Andrew Ammerlaan | 2022-07-06 | 2 | -41/+0 |
* | sci-chemistry/propka: add 3.4.0 | Andrew Ammerlaan | 2022-07-06 | 3 | -0/+30 |
* | sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388 | Arthur Zamarin | 2022-07-06 | 1 | -1/+1 |
* | sci-chemistry/dssp: Keyword 3.0.11 arm64, #856388 | Arthur Zamarin | 2022-07-06 | 1 | -1/+1 |
* | sci-chemistry/gromacs: Update 9999 | Alexey Shvetsov | 2022-07-04 | 1 | -1/+2 |
* | sci-chemistry/gromacs: arm was dropped upstream since 2022.x | Alexey Shvetsov | 2022-07-04 | 3 | -3/+6 |
* | sci-chemistry/gromacs: eneble py3.11 | Alexey Shvetsov | 2022-07-04 | 4 | -4/+4 |
* | sci-chemistry/gromacs: enable py3.11 | Alexey Shvetsov | 2022-07-04 | 2 | -2/+2 |
* | sci-chemistry/gromacs: enable py3.11 | Alexey Shvetsov | 2022-07-04 | 1 | -1/+1 |
* | sci-chemistry/gromacs: enable py3.11 | Alexey Shvetsov | 2022-07-04 | 1 | -1/+1 |
* | sci-chemistry/gromacs: drop 2022 | Alexey Shvetsov | 2022-07-04 | 2 | -338/+0 |
* | sci-chemistry/gromacs: add 2022.2 | Alexey Shvetsov | 2022-07-04 | 2 | -0/+338 |
* | sci-chemistry/molequeue: enable py3.10, py3.11 and disable py3.7 | Andrew Ammerlaan | 2022-06-15 | 1 | -4/+8 |
* | sci-chemistry/votca: x86 stable wrt bug #846386 | Agostino Sarubbo | 2022-06-13 | 1 | -1/+1 |
* | sci-chemistry/votca: amd64 stable wrt bug #846386 | Agostino Sarubbo | 2022-06-12 | 1 | -1/+1 |
* | sci-chemistry/openbabel: fix build with GCC 12 | Sam James | 2022-06-12 | 2 | -0/+36 |
* | sci-chemistry/molsketch: drop 0.4.1-r1 | Pacho Ramos | 2022-06-09 | 3 | -72/+0 |
* | sci-chemistry/molsketch: Needs to be rebuilt with openbabel subslot changes | Pacho Ramos | 2022-06-09 | 1 | -1/+1 |