| Commit message (Expand) | Author | Age | Files | Lines |
|---|
| ... | |
| * | 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 |
| * | sci-chemistry/gromacs: Drop unused eclass | Alexey Shvetsov | 2022-02-16 | 6 | -9/+9 |
| * | sci-chemistry/gromacs: Drop non-exising blocker | Alexey Shvetsov | 2022-02-16 | 3 | -5/+2 |
| * | sci-chemistry/gromacs: Allow to build with clang | Alexey Shvetsov | 2022-02-16 | 2 | -1/+19 |
| * | sci-chemistry/gromacs: Stabilize 2021.3-r1 x86, #814101 |   Jakov Smolić | 2022-02-14 | 1 | -2/+2 |
| * | sci-chemistry/povscript+: treeclean | Jakov Smolić | 2022-02-12 | 4 | -83/+0 |
| * | sci-chemistry/gromacs: version bump for 2020.7 | Alexey Shvetsov | 2022-02-10 | 2 | -0/+355 |
| * | sci-chemistry/molscript: treeclean | Jakov Smolić | 2022-02-10 | 8 | -221/+0 |
| * | sci-chemistry/gromacs: remove unused patch |   Michael Mair-Keimberger | 2022-02-10 | 1 | -53/+0 |
| * | sci-chemistry/gromacs: Cleanup 2021 versions | Alexey Shvetsov | 2022-02-08 | 5 | -727/+3 |
| * | sci-chemistry/gromacs: there no mdrun_only builds with gromacs 2022 | Alexey Shvetsov | 2022-02-08 | 3 | -94/+10 |
| * | sci-chemistry/mpqc: fix build system and MPI |   David Seifert | 2022-01-29 | 2 | -24/+61 |
| * | sci-chemistry/gromacs: rc1 added | Alexey Shvetsov | 2022-01-27 | 2 | -5/+5 |
| * | sci-chemistry/gromacs: Version bump | Alexey Shvetsov | 2022-01-27 | 2 | -0/+359 |
| * | sci-chemistry/votca: version bump | Christoph Junghans | 2022-01-15 | 2 | -0/+71 |
| * | sci-chemistry/MDAnalysis: add py 3.10 | Alexey Shvetsov | 2022-01-13 | 1 | -2/+2 |
| * | sci-chemistry/GromacsWrapper: Drop eutils.eclass | Alexey Shvetsov | 2022-01-13 | 1 | -1/+1 |
| * | sci-chemistry/GromacsWrapper: Add py 3.10 | Alexey Shvetsov | 2022-01-13 | 1 | -2/+2 |
| * | sci-chemistry/autodock_vina: remove useless <use> description | David Seifert | 2022-01-08 | 1 | -7/+0 |
| * | sci-chemistry/mdtraj: add missing test dep | Andrew Ammerlaan | 2021-12-29 | 1 | -0/+1 |
| * | sci-chemistry/mdtraj: add version 1.9.7, enable py3.10, fix tests | Andrew Ammerlaan | 2021-12-28 | 2 | -0/+42 |
| * | sci-chemistry/MDAnalysis: add version 2.0.0, enable py3.10 | Andrew Ammerlaan | 2021-12-28 | 2 | -0/+38 |
| * | sci-chemistry/votca: initial import | Christoph Junghans | 2021-12-16 | 4 | -0/+159 |
| * | sci-chemistry/gnome-chemistry-utils: Drop old |   Pacho Ramos | 2021-12-16 | 1 | -74/+0 |
| * | sci-chemistry/gnome-chemistry-utils: Fix compat with openbabel | Pacho Ramos | 2021-12-16 | 1 | -0/+76 |
| * | sci-chemistry/openbabel: bump EAPI=8, add python310 | Andrew Ammerlaan | 2021-12-15 | 2 | -4/+4 |
| * | sci-chemistry/openbabel: Bump openbabel-3.1.1_p20210225 |   Peter Levine | 2021-12-15 | 2 | -0/+273 |
| * | sci-chemistry/openbabel: Add openbabel-9999 | Peter Levine | 2021-12-15 | 4 | -0/+381 |
| * | sci-chemistry/probe: de-stabilize for ~ppc, bug #823768 |   Georgy Yakovlev | 2021-11-18 | 1 | -1/+1 |
| * | sci-chemistry/mopac7: de-stabilize for ~ppc, bug #823768 | Georgy Yakovlev | 2021-11-18 | 1 | -1/+1 |
| * | sci-chemistry/molscript: de-stabilize for ~ppc, bug #823768 | Georgy Yakovlev | 2021-11-18 | 1 | -1/+1 |
| * | sci-chemistry/molmol: de-stabilize for ~ppc, bug #823768 | Georgy Yakovlev | 2021-11-18 | 1 | -2/+2 |
| * | sci-chemistry/moldy: de-stabilize for ~ppc, bug #823768 | Georgy Yakovlev | 2021-11-18 | 1 | -2/+2 |
| * | sci-chemistry/tm-align: de-stabilize for ~ppc, bug #823768 | Georgy Yakovlev | 2021-11-18 | 1 | -2/+2 |
| * | sci-chemistry/dssp: Stabilize 3.0.11 amd64, #823826 | Jakov Smolić | 2021-11-16 | 1 | -1/+1 |
| * | sci-chemistry/dssp: x86 stable wrt bug #823826 |   Agostino Sarubbo | 2021-11-16 | 1 | -1/+1 |
| * | sci-chemistry/dssp: don't run useless (for downstream) cppcheck test |   Sam James | 2021-11-16 | 1 | -1/+2 |
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