| Commit message (Expand) | Author | Age | Files | Lines |
* | 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 |
* | sci-chemistry/gromacs: Keyword 2022.1 arm, #834865 |  Sam James | 2022-06-02 | 1 | -1/+1 |
* | sci-chemistry/dssp: Keyword 3.0.11 arm, #834865 |  Sam James | 2022-06-02 | 1 | -2/+2 |
* | sci-chemistry/pymol: Fix desktop file, LICENSE and restrict values |  Pacho Ramos | 2022-05-22 | 1 | -0/+98 |
* | sci-chemistry/vmd: drop 1.9.4_alpha51 |  Pacho Ramos | 2022-05-20 | 2 | -271/+0 |
* | sci-chemistry/vmd: add 1.9.4_alpha57 |  Pacho Ramos | 2022-05-20 | 2 | -0/+271 |
* | sci-chemistry/openbabel: [QA] use tc-check-openmp correctly |  David Seifert | 2022-05-16 | 2 | -2/+10 |
* | sci-chemistry/tinker: [QA] tc-has-openmp → tc-check-openmp |  David Seifert | 2022-05-14 | 1 | -2/+7 |
* | sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmp |  David Seifert | 2022-05-14 | 12 | -36/+33 |
* | sci-chemistry/gromacs: dropped unused eclass |  Alexey Shvetsov | 2022-04-28 | 2 | -2/+2 |
* | sci-chemistry/gromacs: add 2022.1 |  Alexey Shvetsov | 2022-04-28 | 2 | -0/+339 |
* | sci-chemistry/gelemental: add 2.0.1 |  Matthias Maier | 2022-04-24 | 3 | -0/+67 |
* | sci-chemistry/openbabel: Resurect opebabel[python] |  Alexey Shvetsov | 2022-04-15 | 1 | -0/+104 |
* | sci-chemistry/modeller: enable py3.10 |  Alexey Shvetsov | 2022-04-08 | 1 | -3/+3 |
* | sci-chemistry/pymol: enable py3.10 |  Alexey Shvetsov | 2022-04-08 | 1 | -17/+3 |
* | sci-chemistry/openbabel-perl: Remove last-rited package |  Andreas Sturmlechner | 2022-04-05 | 4 | -102/+0 |
* | sci-chemistry/votca-ctp: Remove last-rited package |  Andreas Sturmlechner | 2022-03-30 | 3 | -87/+0 |
* | sci-chemistry/mm-align: treeclean |  Jakov Smolić | 2022-03-28 | 4 | -55/+0 |
* | sci-chemistry/procheck: [QA] fix tc-get* quoting |  Sam James | 2022-03-20 | 1 | -3/+3 |
* | sci-chemistry/mustang: [QA] fix tc-get* quoting |  Sam James | 2022-03-20 | 1 | -2/+2 |
* | sci-chemistry/mopac7: [QA] fix tc-get* quoting |  Sam James | 2022-03-20 | 1 | -2/+2 |