| Commit message (Expand) | Author | Age | Files | Lines |
|---|
| * | 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 |
| * | sci-chemistry/chemex: Update tests handling | Pacho Ramos | 2021-11-12 | 1 | -1/+1 |
| * | sci-chemistry/chemex: Drop old | Pacho Ramos | 2021-11-11 | 3 | -91/+0 |
| * | sci-chemistry/chemex: Version bump | Pacho Ramos | 2021-11-11 | 2 | -0/+47 |
| * | sci-chemistry/vmd: Bump to alpha55 | Pacho Ramos | 2021-11-11 | 2 | -0/+270 |
| * | sci-chemistry/gromacs: version bump to 2021.4 |   Alexey Shvetsov | 2021-11-09 | 2 | -0/+359 |
| * | sci-chemistry/gromacs: fix v2019 build on newer glibc | Christoph Junghans | 2021-11-07 | 2 | -0/+293 |
| * | sci-chemistry/openbabel: Drop 2.4.1-r1 |   Andreas Sturmlechner | 2021-11-07 | 3 | -130/+0 |
| * | sci-chemistry/dssp: Drop old | Pacho Ramos | 2021-11-06 | 3 | -79/+0 |
| * | sci-chemistry/dssp: gromacs-2022 will support dssp-4 | Pacho Ramos | 2021-11-06 | 1 | -1/+1 |
| * | sci-chemistry/gromacs: needs mpi[cxx] | Sam James | 2021-11-04 | 3 | -3/+3 |
| * | sci-chemistry/gromacs: Fix deps | Alexey Shvetsov | 2021-11-04 | 3 | -3/+3 |
| * | sci-chemistry/gromacs: Unbundle muParser | Alexey Shvetsov | 2021-11-04 | 3 | -30/+27 |
| * | sci-chemistry/gromacs: Add 2022_beta1 | Alexey Shvetsov | 2021-10-28 | 4 | -11/+708 |
| * | sci-chemistry/gromacs: revbump for subslot operator changes | Sam James | 2021-10-26 | 8 | -12/+12 |
| * | sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changes | Pacho Ramos | 2021-10-26 | 5 | -7/+7 |
| * | sci-chemistry/pymol: drop 2.4.0-r1 |   David Seifert | 2021-10-24 | 3 | -151/+0 |
| * | sci-chemistry/cluster: Port to EAPI 8 | Jakov Smolić | 2021-10-21 | 1 | -9/+10 |
| * | sci-chemistry/chemex: Drop old | Pacho Ramos | 2021-10-19 | 2 | -41/+0 |
| * | sci-chemistry/chemex: Version bump | Pacho Ramos | 2021-10-19 | 2 | -0/+47 |
| * | sci-chemistry/gromacs: fix confusing indentation | Sam James | 2021-10-14 | 3 | -18/+18 |
| * | sci-chemistry/gromacs: fix configure with -custom-cflags | Sam James | 2021-10-14 | 3 | -3/+6 |
| * | sci-chemistry/dssp: Keyword 4.0.1_p20210831 x86, #811417 | Sam James | 2021-10-10 | 1 | -1/+1 |
| * | sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101 | Sam James | 2021-10-07 | 1 | -1/+1 |
| * | sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101 | Sam James | 2021-10-07 | 1 | -1/+1 |
| * | sci-chemistry/dssp: x86 stable wrt bug #816123 | Agostino Sarubbo | 2021-10-05 | 1 | -1/+1 |
| * | sci-chemistry/dssp: amd64 stable wrt bug #816123 | Agostino Sarubbo | 2021-10-04 | 1 | -1/+1 |
| * | sci-chemistry/dssp: Bump to 4.0.3 | Pacho Ramos | 2021-10-03 | 2 | -0/+32 |
| * | sci-chemistry/chemex: Version bump | Pacho Ramos | 2021-09-26 | 2 | -0/+44 |
| * | sci-chemistry/votca-xtp: version bump | Christoph Junghans | 2021-09-19 | 2 | -0/+52 |
| * | sci-chemistry/votca-csg: version bump | Christoph Junghans | 2021-09-19 | 2 | -0/+89 |
| * | sci-chemistry/gromacs: Check patches | Alexey Shvetsov | 2021-09-15 | 1 | -6/+1 |
| * | sci-chemistry/gromacs: version bump | Alexey Shvetsov | 2021-09-15 | 2 | -0/+363 |
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