Chemistry Project – Gentoo Packages

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Latest Commits

Commits on May 04, 2021
- sci-chemistry/modeller: fix function/phase declaration style
  1a6b6a5
  
  Sam James committed on 4 May 2021 19:22:41
  
  sci-chemistry/modeller/modeller-9.25.ebuild
Commits on May 02, 2021
- sci-chemistry/vmd: Drop old
  8c9499c
  
  Pacho Ramos committed on 2 May 2021 19:22:23
  
  sci-chemistry/vmd/Manifest sci-chemistry/vmd/files/vmd-1.9.4-gentoo-paths.patch sci-chemistry/vmd/files/vmd-1.9.4-tmpdir.patch sci-chemistry/vmd/vmd-1.9.4_alpha43.ebuild
- sci-chemistry/pymol: Re-host distfiles
  c4ec1ee
  
  Pacho Ramos committed on 2 May 2021 19:22:22
  
  sci-chemistry/pymol/pymol-2.4.0-r1.ebuild
Commits on Apr 23, 2021
- sci-chemistry/gromacs: Update patches
  58f023b
  
  Alexey Shvetsov committed on 23 Apr 2021 11:41:19
  
  sci-chemistry/gromacs/files/gromacs-2020-pytest.patch sci-chemistry/gromacs/files/gromacs-2021-nblib.patch sci-chemistry/gromacs/gromacs-2020.4.ebuild sci-chemistry/gromacs/gromacs-2020.5.ebuild sci-chemistry/gromacs/gromacs-2020.6.ebuild sci-chemistry/gromacs/gromacs-2020.9999.ebuild sci-chemistry/gromacs/gromacs-2021.1.ebuild sci-chemistry/gromacs/gromacs-2021.9999.ebuild sci-chemistry/gromacs/gromacs-2021.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild sci-chemistry/gromacs/files/gromacs-2020_beta1-pytest.patch
Commits on Apr 19, 2021
- sci-chemistry/wxmacmolplt: respect PKG_CONFIG
  4e96de4
  
  Sam James committed on 19 Apr 2021 19:10:11
  
  sci-chemistry/wxmacmolplt/files/wxmacmolplt-7.5-glew.patch sci-chemistry/wxmacmolplt/wxmacmolplt-7.5-r1.ebuild
- sci-chemistry/easychem: clean up patches
  c875a88
  
  Sam James committed on 19 Apr 2021 19:10:10
  
  sci-chemistry/easychem/files/0.6-gentoo.patch
Commits on Apr 18, 2021
- sci-libs/inchi: eutils->epatch
  3b0a051
  
  Sam James committed on 18 Apr 2021 06:04:00
  
  sci-libs/inchi/inchi-1.04.ebuild
- sci-chemistry/rasmol: eutils->epatch
  19e7920
  
  Sam James committed on 18 Apr 2021 06:03:46
  
  sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild
- sci-chemistry/povscript+: eutils->epatch
  bbb1e03
  
  Sam James committed on 18 Apr 2021 06:03:45
  
  sci-chemistry/povscript+/povscript+-2.1.2.2.20.ebuild
- sci-chemistry/mustang: eutils->epatch
  846d35a
  
  Sam James committed on 18 Apr 2021 06:03:44
  
  sci-chemistry/mustang/mustang-3.2.2.ebuild
- sci-chemistry/molscript: eutils->epatch
  6e7400c
  
  Sam James committed on 18 Apr 2021 06:03:43
  
  sci-chemistry/molscript/molscript-2.1.2-r2.ebuild
- sci-chemistry/gelemental: fix ignored myeconfargs, BDEPEND, xdg-utils->xdg
  7ba727a
  
  Sam James committed on 18 Apr 2021 06:03:43
  
  sci-chemistry/gelemental/gelemental-2.0.0-r1.ebuild
- sci-chemistry/easychem: eutils->epatch
  cfe90a8
  
  Sam James committed on 18 Apr 2021 06:03:42
  
  sci-chemistry/easychem/easychem-0.6-r1.ebuild
- sci-chemistry/cluster: eutils->epatch
  b999f24
  
  Sam James committed on 18 Apr 2021 06:03:41
  
  sci-chemistry/cluster/cluster-1.3.081231-r1.ebuild
Commits on Apr 17, 2021
- sci-chemistry/GromacsWrapper: Support newer python versions
  0a89161
  
  Pacho Ramos committed on 17 Apr 2021 20:08:27
  
  sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0-r1.ebuild
Commits on Apr 16, 2021
- sci-libs/votca-tools: eutils--
  62649d5
  
  Sam James committed on 16 Apr 2021 11:21:45
  
  sci-libs/votca-tools/votca-tools-1.5.1.ebuild
- sci-libs/rosetta-fragments: eutils--
  23d6af7
  
  Sam James committed on 16 Apr 2021 11:21:43
  
  sci-libs/rosetta-fragments/rosetta-fragments-3.1-r1.ebuild
- sci-libs/rosetta-db: eutils--
  98da3b8
  
  Sam James committed on 16 Apr 2021 11:21:42
  
  sci-libs/rosetta-db/rosetta-db-3.4.ebuild
- sci-libs/cifparse-obj: eutils--
  a1d7592
  
  Sam James committed on 16 Apr 2021 11:21:30
  
  sci-libs/cifparse-obj/cifparse-obj-7.105.ebuild
- sci-chemistry/tinker: eutils--
  53b56be
  
  Sam James committed on 16 Apr 2021 11:21:26
  
  sci-chemistry/tinker/tinker-8.2.1.ebuild
- sci-chemistry/namd: eutils--
  f1fa239
  
  Sam James committed on 16 Apr 2021 11:21:25
  
  sci-chemistry/namd/namd-2.10.ebuild
- sci-chemistry/modeller: eutils--
  4d117fa
  
  Sam James committed on 16 Apr 2021 11:21:24
  
  sci-chemistry/modeller/modeller-9.25.ebuild
- sci-chemistry/gromacs: eutils--
  118b202
  
  Sam James committed on 16 Apr 2021 11:21:23
  
  sci-chemistry/gromacs/gromacs-2018.8.ebuild sci-chemistry/gromacs/gromacs-2019.6.ebuild sci-chemistry/gromacs/gromacs-2020.4.ebuild sci-chemistry/gromacs/gromacs-2020.5.ebuild sci-chemistry/gromacs/gromacs-2020.6.ebuild sci-chemistry/gromacs/gromacs-2020.9999.ebuild sci-chemistry/gromacs/gromacs-2021.1.ebuild sci-chemistry/gromacs/gromacs-2021.9999.ebuild sci-chemistry/gromacs/gromacs-2021.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild
Commits on Apr 15, 2021
- sci-chemistry/rasmol: fix build with -native-symlinks
  98b223f
  
  Ionen Wolkens authored and Joonas Niilola committed on 15 Apr 2021 06:38:55
  
  sci-chemistry/rasmol/rasmol-2.7.5.2-r2.ebuild
Commits on Apr 13, 2021
- sci-chemistry/theseus: call pkg-config via toolchain-funcs.eclass helper
  bc94610
  
  Sam James committed on 13 Apr 2021 00:26:24
  
  sci-chemistry/theseus/theseus-3.3.0.ebuild
Commits on Apr 12, 2021
- sci-chemistry/tinker: add missing pkgconfig (B)DEPEND
  3499c25
  
  Sam James committed on 12 Apr 2021 23:07:44
  
  sci-chemistry/tinker/tinker-8.2.1.ebuild
- sci-chemistry/gromacs: version bump to 2021.1
  879c0cf
  
  Alexey Shvetsov committed on 12 Apr 2021 20:00:11
  
  sci-chemistry/gromacs/gromacs-2021.1.ebuild sci-chemistry/gromacs/Manifest
- sci-chemistry/gromacs: version bump to 2020.6
  7a4bc2a
  
  Alexey Shvetsov committed on 12 Apr 2021 19:58:51
  
  sci-chemistry/gromacs/gromacs-2020.6.ebuild sci-chemistry/gromacs/Manifest
- sci-libs/numkit: fix RDEPEND typo
  04a4df8
  
  Sam James committed on 12 Apr 2021 01:07:35
  
  sci-libs/numkit/numkit-1.1.2-r1.ebuild sci-libs/numkit/numkit-1.1.2.ebuild
- sci-chemistry/GromacsWrapper: fix RDEPEND typo
  939a776
  
  Sam James committed on 12 Apr 2021 01:07:34
  
  sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0-r1.ebuild sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild
- sci-chemistry/avogadro2: fix DEPEND typo
  dfd33bf
  
  Sam James committed on 12 Apr 2021 01:07:28
  
  sci-chemistry/avogadro2/avogadro2-1.93.0.ebuild
Commits on Apr 05, 2021
- sci-libs/votca-tools: Drop 1.6 and 1.6.2
  0c36654
  
  Andreas Sturmlechner committed on 5 Apr 2021 16:53:22
  
  sci-libs/votca-tools/Manifest sci-libs/votca-tools/votca-tools-1.6.2.ebuild sci-libs/votca-tools/votca-tools-1.6.ebuild
- sci-chemistry/votca-csgapps: Drop 1.6
  854bee6
  
  Andreas Sturmlechner committed on 5 Apr 2021 16:53:22
  
  sci-chemistry/votca-csgapps/Manifest sci-chemistry/votca-csgapps/votca-csgapps-1.6.ebuild
- sci-chemistry/votca-csg: Drop 1.6
  56222b5
  
  Andreas Sturmlechner committed on 5 Apr 2021 16:53:22
  
  sci-chemistry/votca-csg/Manifest sci-chemistry/votca-csg/votca-csg-1.6.ebuild
- sci-chemistry/votca-xtp: Drop 1.6
  fb70288
  
  Andreas Sturmlechner committed on 5 Apr 2021 16:53:21
  
  sci-chemistry/votca-xtp/Manifest sci-chemistry/votca-xtp/votca-xtp-1.6.ebuild
Commits on Apr 04, 2021
- sci-chemistry/wxmacmolplt: need-wxwidgets -> setup-wxwidgets
  8aac0d7
  
  David Seifert committed on 4 Apr 2021 20:19:50
  
  sci-chemistry/wxmacmolplt/wxmacmolplt-7.5-r1.ebuild
Commits on Apr 03, 2021
- sci-chemistry/gromacs: fix variable references
  bbcbe61
  
  Sam James committed on 3 Apr 2021 15:43:42
  
  sci-chemistry/gromacs/gromacs-2020.4.ebuild sci-chemistry/gromacs/gromacs-2020.5.ebuild sci-chemistry/gromacs/gromacs-2020.9999.ebuild sci-chemistry/gromacs/gromacs-2021.9999.ebuild sci-chemistry/gromacs/gromacs-2021.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild
- sci-chemistry/GromacsWrapper: fix variable references
  4e59a6d
  
  Sam James committed on 3 Apr 2021 15:43:41
  
  sci-chemistry/GromacsWrapper/GromacsWrapper-0.8.0.ebuild
Commits on Mar 28, 2021
- sci-chemistry/openbabel: Stabilize 2.4.1-r2 x86, #722860
  1ef2edd
  
  Sam James committed on 28 Mar 2021 10:59:05
  
  sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild
- sci-libs/votca-tools: x86 stable wrt bug #773175
  c863442
  
  Agostino Sarubbo committed on 28 Mar 2021 10:01:58
  
  sci-libs/votca-tools/votca-tools-1.6.4.ebuild
- sci-chemistry/votca-xtp: x86 stable wrt bug #773175
  5768773
  
  Agostino Sarubbo committed on 28 Mar 2021 10:01:54
  
  sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
- sci-chemistry/votca-csgapps: x86 stable wrt bug #773175
  94ff150
  
  Agostino Sarubbo committed on 28 Mar 2021 10:01:50
  
  sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
- sci-chemistry/votca-csg: x86 stable wrt bug #773175
  4789b68
  
  Agostino Sarubbo committed on 28 Mar 2021 10:01:48
  
  sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
- sci-chemistry/openbabel: amd64 stable wrt bug #722860
  92d93b0
  
  Agostino Sarubbo committed on 28 Mar 2021 09:59:53
  
  sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild
- sci-chemistry/numbat: port to EAPI 7
  68a8290
  
  Sam James committed on 28 Mar 2021 01:13:50
  
  sci-chemistry/numbat/numbat-0.999-r1.ebuild
- sci-chemistry/openbabel: Fix gcc10 build and use wxGTK:gtk3.0
  81ccd60
  
  Pacho Ramos committed on 28 Mar 2021 00:17:34
  
  sci-chemistry/openbabel/files/openbabel-2.4.1-gcc10.patch sci-chemistry/openbabel/openbabel-2.4.1-r2.ebuild
Commits on Mar 27, 2021
- sci-chemistry/votca-xtp: Stabilize 1.6.4 amd64, #773175
  b856586
  
  Sam James committed on 27 Mar 2021 16:07:01
  
  sci-chemistry/votca-xtp/votca-xtp-1.6.4.ebuild
- sci-chemistry/votca-csgapps: Stabilize 1.6.4 amd64, #773175
  39d28bb
  
  Sam James committed on 27 Mar 2021 16:07:00
  
  sci-chemistry/votca-csgapps/votca-csgapps-1.6.4.ebuild
- sci-chemistry/votca-csg: Stabilize 1.6.4 amd64, #773175
  9edc2d1
  
  Sam James committed on 27 Mar 2021 16:06:59
  
  sci-chemistry/votca-csg/votca-csg-1.6.4.ebuild
- sci-libs/votca-tools: Stabilize 1.6.4 amd64, #773175
  67317dd
  
  Sam James committed on 27 Mar 2021 16:06:58
  
  sci-libs/votca-tools/votca-tools-1.6.4.ebuild