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* sci-chemistry/apbs: python_export_best → python_setupMichał Górny2019-11-291-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/povscript+: drop old EAPIAaron Bauman2019-11-232-55/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/molden: drop old EAPIAaron Bauman2019-11-233-154/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/ksdssp: drop oldAaron Bauman2019-11-231-44/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2019-11-212-0/+75
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-ctp: Version bumpChristoph Junghans2019-11-212-0/+73
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2019-11-212-0/+34
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bumpChristoph Junghans2019-11-212-0/+103
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry{,libs}/*: drop last-rited packagesAaron Bauman2019-11-2033-2309/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/MDAnalysis: move to py3.7 and eapi7Alexey Shvetsov2019-11-172-8/+18
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.18 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/molden: amd64 stable wrt bug #665800Agostino Sarubbo2019-11-121-1/+1
| | | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/molden: x86 stable wrt bug #665800Agostino Sarubbo2019-11-121-1/+1
| | | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/molden: Fix build with gcc >= 8, create desktop entryPacho Ramos2019-11-112-4/+16
| | | | | | Bug: https://bugs.gentoo.org/665800 Package-Manager: Portage-2.3.79, Repoman-2.3.18 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/xdsstat-bin: Remove last-rited pkgMichał Górny2019-10-313-42/+0
| | | | | Closes: https://bugs.gentoo.org/673962 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Beta1Alexey Shvetsov2019-10-244-0/+352
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/azara: Remove last-rited pkgMichał Górny2019-10-197-852/+0
| | | | | Closes: https://bugs.gentoo.org/680726 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Version bump for 2018.x seriesAlexey Shvetsov2019-10-053-7/+327
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Fix some pkgchek warningsAlexey Shvetsov2019-10-047-7/+23
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: add missing trailing slashesThomas Deutschmann2019-10-031-4/+4
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2019-10-023-1/+317
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop oldAlexey Shvetsov2019-10-022-272/+0
| | | | | Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/burrow-owl: RemoveMatt Turner2019-10-013-65/+0
| | | | | Bug: https://bugs.gentoo.org/693290 Signed-off-by: Matt Turner <mattst88@gentoo.org>
* sci-chemistry/openbabel: Fix openmp support, add a desktop file.Pacho Ramos2019-09-292-0/+102
| | | | | | Closes: https://bugs.gentoo.org/659148 Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/pymol-plugins-promol: Dep on dev-python/pmw directlyMichał Górny2019-09-271-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Dep on dev-python/pmw directlyMichał Górny2019-09-272-2/+2
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol-plugins-caver: Add missing RESTRICT=bindistMichał Górny2019-09-201-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/cara-bin: Add missing RESTRICT=bindistMichał Górny2019-09-201-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/azara: Add bindist & mirror restrictionMichał Górny2019-09-191-1/+2
| | | | | Bug: https://bugs.gentoo.org/680726 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/jmol: Remove last-rited pkgMichał Górny2019-09-149-995/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/wxmacmolplt: Remove media-libs/ming depMichał Górny2019-09-062-7/+3
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/GromacsWrapper: Version bumpAlexey Shvetsov2019-08-233-9/+10
| | | | | Package-Manager: Portage-2.3.72, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* */*: Depend on media-libs/mesa[X(+)]Philipp Ammann2019-08-172-3/+3
| | | | | | | | | This changes any package that depends on media-libs/mesa (though not virtual/opengl) to depend on media-libs/mesa[X(+)] instead. Bug: https://bugs.gentoo.org/560096 Signed-off-by: Philipp Ammann <philipp.ammann@posteo.de> Signed-off-by: Matt Turner <mattst88@gentoo.org>
* sci-chemistry/gromacs: Add missing PYTHON_*Michał Górny2019-08-123-3/+9
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol-plugins-promol: [QA] Fix double-prefixDavid Seifert2019-08-111-2/+2
| | | | | Package-Manager: Portage-2.3.71, Repoman-2.3.17 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gelemental: fix SRC_URIAaron Bauman2019-08-102-2/+2
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/reduce: RemoveMatt Turner2019-08-096-105/+0
| | | | | Closes: https://bugs.gentoo.org/639760 Signed-off-by: Matt Turner <mattst88@gentoo.org>
* sci-chemistry/coot: RemoveMatt Turner2019-08-097-296/+0
| | | | | Closes: https://bugs.gentoo.org/639760 Signed-off-by: Matt Turner <mattst88@gentoo.org>
* sci-chemistry/gelemental: version bump to 2.0.0Matthias Maier2019-08-082-0/+52
| | | | | Package-Manager: Portage-2.3.71, Repoman-2.3.17 Signed-off-by: Matthias Maier <tamiko@gentoo.org>
* sci-chemistry/gelemental: update upstreamMatthias Maier2019-08-082-3/+7
| | | | | | | | The package has been recently adopted by a new upstream maintainer and is now hosted on github. Update the metadata accordingly. Package-Manager: Portage-2.3.71, Repoman-2.3.17 Signed-off-by: Matthias Maier <tamiko@gentoo.org>
* sci-chemistry/gmxapi: Works with py3.7Alexey Shvetsov2019-08-031-1/+1
| | | | | Package-Manager: Portage-2.3.69, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: arm stable wrt bug #687240Mikle Kolyada2019-07-281-1/+1
| | | | | | Package-Manager: Portage-2.3.66, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>
* sci-chemistry/gromacs: arm stable wrt bug #687238Mikle Kolyada2019-07-281-1/+1
| | | | | | Package-Manager: Portage-2.3.66, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>
* sci-chemistry/chemical-mime-data: arm64 stableAaron Bauman2019-07-281-1/+1
| | | | | | Signed-off-by: Aaron Bauman <bman@gentoo.org> Package-Manager: Portage-2.3.69, Repoman-2.3.16 RepoMan-Options: --include-arches="arm64"
* sci-chemistry/pymol-plugins-emovie: Sort KEYWORDSMichał Górny2019-07-151-2/+2
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/jmol: Sort KEYWORDSMichał Górny2019-07-151-2/+2
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/modeller: Version bumpAlexey Shvetsov2019-07-122-0/+146
| | | | | Package-Manager: Portage-2.3.69, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Add missing dep for docsAlexey Shvetsov2019-07-073-0/+3
| | | | | | | | GROMACS need graphviz to build doc Closes: https://bugs.gentoo.org/688074 Package-Manager: Portage-2.3.68, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/ghemical: Fix building against GCC 9David Seifert2019-06-232-1/+41
| | | | | | Closes: https://bugs.gentoo.org/687450 Package-Manager: Portage-2.3.67, Repoman-2.3.15 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/ghemical: Port to EAPI 7David Seifert2019-06-231-13/+10
| | | | | Package-Manager: Portage-2.3.67, Repoman-2.3.15 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2019-06-142-0/+309
| | | | | Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>