| Commit message (Expand) | Author | Age | Files | Lines |
* | 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 |
* | sci-chemistry/moldy: [QA] fix tc-get* quoting | Sam James | 2022-03-20 | 1 | -2/+2 |
* | sci-chemistry/gperiodic: [QA] fix tc-get* quoting | Sam James | 2022-03-20 | 1 | -2/+2 |
* | sci-chemistry/dssp: Keyword 4.0.4 x86, #834864 | Jakov Smolić | 2022-03-17 | 1 | -1/+1 |
* | sci-chemistry/dssp: Bump to 4.0.4 | Pacho Ramos | 2022-03-13 | 2 | -0/+32 |
* | sci-chemistry/openbabel: fix WhitespaceFound | Sam James | 2022-03-10 | 2 | -3/+3 |
* | sci-chemistry/openbabel: Drop 2.4.1-r2 | Andreas Sturmlechner | 2022-03-07 | 4 | -268/+0 |
* | sci-chemistry/openbabel: Stabilize 3.1.1_p20210225 x86, #834115 | Jakov Smolić | 2022-03-07 | 1 | -1/+1 |
* | sci-chemistry/openbabel: Stabilize 3.1.1_p20210225 amd64, #834115 | Jakov Smolić | 2022-03-07 | 1 | -2/+2 |