| Commit message (Expand) | Author | Age | Files | Lines |
* | 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 |
* | sci-chemistry/tm-align: Drop 20150914 (r0) |  Andreas Sturmlechner | 2022-03-06 | 1 | -26/+0 |
* | sci-chemistry/tm-align: x86 stable wrt bug #834302 |  Agostino Sarubbo | 2022-03-06 | 1 | -1/+1 |
* | sci-chemistry/tm-align: ppc64 stable wrt bug #834302 |  Agostino Sarubbo | 2022-03-06 | 1 | -1/+1 |
* | sci-chemistry/tm-align: amd64 stable wrt bug #834302 |  Agostino Sarubbo | 2022-03-06 | 1 | -1/+1 |
* | sci-chemistry/avogadro2: Drop 1.93.0 |  Andreas Sturmlechner | 2022-03-05 | 2 | -57/+0 |
* | sci-chemistry/avogadro2: add version 1.95.1 |  Andrew Ammerlaan | 2022-03-04 | 3 | -0/+99 |
* | sci-chemistry/votca-csg: Drop 1.5.1 |  Andreas Sturmlechner | 2022-03-01 | 2 | -102/+0 |
* | sci-chemistry/votca-csgapps: Drop 1.5.1 |  Andreas Sturmlechner | 2022-03-01 | 2 | -33/+0 |
* | sci-chemistry/tm-align: update EAPI 6 -> 8 |  Sam James | 2022-02-27 | 1 | -0/+24 |
* | sci-chemistry/pdbmat: port to EAPI 8 |  Sam James | 2022-02-27 | 2 | -10/+11 |
* | sci-chemistry/pdbcat: port to EAPI 8 |  Sam James | 2022-02-27 | 1 | -6/+9 |
* | sci-chemistry/molsketch: add some new deps required for new 0.7.2 version |  Andrew Ammerlaan | 2022-02-24 | 1 | -0/+2 |
* | sci-chemistry/molsketch: add version 0.7.2 |  Andrew Ammerlaan | 2022-02-24 | 2 | -0/+38 |
* | sci-chemistry/gromacs: New release |  Alexey Shvetsov | 2022-02-22 | 3 | -33/+6 |
* | sci-chemistry/gromacs: Fix build for musl |  Alexey Shvetsov | 2022-02-21 | 3 | -0/+29 |
* | sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022 |  Alexey Shvetsov | 2022-02-21 | 2 | -0/+27 |
* | sci-chemistry/votca: fix python dep |  Christoph Junghans | 2022-02-21 | 2 | -2/+22 |
* | sci-chemistry/votca: fix deps |  Christoph Junghans | 2022-02-20 | 2 | -3/+3 |
* | sci-chemistry/votca: remove old |  Christoph Junghans | 2022-02-20 | 2 | -71/+0 |
* | sci-chemistry/votca-xtp: git version moved to sci-chemistry/votca |  Christoph Junghans | 2022-02-20 | 1 | -52/+0 |
* | sci-chemistry/votca-xtp: remove old |  Christoph Junghans | 2022-02-20 | 3 | -96/+0 |
* | sci-chemistry/votca-csg: git version moved to sci-chemistry/votca |  Christoph Junghans | 2022-02-20 | 1 | -86/+0 |
* | sci-chemistry/votca-csg: remove old |  Christoph Junghans | 2022-02-20 | 3 | -176/+0 |
* | sci-chemistry/votca-csg: fix deps |  Christoph Junghans | 2022-02-20 | 5 | -10/+10 |
* | sci-chemistry/molden: add version 6.9 |  Andrew Ammerlaan | 2022-02-19 | 3 | -0/+169 |
* | sci-chemistry/gromacs: Fix misspelling |  Alexey Shvetsov | 2022-02-16 | 1 | -1/+1 |
* | sci-chemistry/ParmEd: Initial import |  Alexey Shvetsov | 2022-02-16 | 3 | -0/+35 |
* | sci-chemistry/gromacs: Cleanup |  Alexey Shvetsov | 2022-02-16 | 2 | -354/+0 |
* | sci-chemistry/gromacs: Fix gromacs citaton |  Alexey Shvetsov | 2022-02-16 | 12 | -37/+25 |
* | sci-chemistry/gromacs: Add missing inherit |  Alexey Shvetsov | 2022-02-16 | 2 | -2/+2 |