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* */*: Clean PYTHON_COMPAT of obsolete implsMichał Górny2020-01-0513-23/+23
| | | | | Closes: https://github.com/gentoo/gentoo/pull/14246 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Fix bashcomp installAlexey Shvetsov2020-01-032-2/+2
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-01-024-15/+401
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop old versionsAlexey Shvetsov2020-01-022-274/+0
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: arm stable wrt bug #703794Agostino Sarubbo2020-01-011-2/+2
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/xyza2pipe: use ASCII whitespaceSergei Trofimovich2019-12-301-2/+2
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Sergei Trofimovich <slyfox@gentoo.org>
* sci-chemistry/gromacs: x86 stable wrt bug #703796Agostino Sarubbo2019-12-301-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/gromacs: x86 stable wrt bug #703794Agostino Sarubbo2019-12-301-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/mdtraj: Drop python2_7Andreas Sturmlechner2019-12-291-2/+1
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gmxapi: Drop python2_7Andreas Sturmlechner2019-12-291-1/+1
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gromacs: amd64 stable wrt bug #703794Agostino Sarubbo2019-12-271-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/MDAnalysis: Remove Py2David Seifert2019-12-261-1/+1
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gromacs: Drop redundant versionsAlexey Shvetsov2019-12-253-632/+0
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: 2020_rc1Alexey Shvetsov2019-12-243-25/+23
| | | | | Package-Manager: Portage-2.3.81, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2019-12-232-0/+316
| | | | | | | This version supposed to be last one in 2019.x series Package-Manager: Portage-2.3.81, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/vmd: Fix /tmp PATH, open .pdb files as pymol doesPacho Ramos2019-12-152-0/+288
| | | | | Package-Manager: Portage-2.3.81, Repoman-2.3.19 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemical-mime-data: Drop oldPacho Ramos2019-12-151-60/+0
| | | | | Package-Manager: Portage-2.3.81, Repoman-2.3.19 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemical-mime-data: Update HOMEPAGEPacho Ramos2019-12-151-1/+1
| | | | | Package-Manager: Portage-2.3.81, Repoman-2.3.19 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/cluster: drop old EAPIAaron Bauman2019-12-121-29/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* */*: [QA] Remove redundant `|| die` guardsDavid Seifert2019-12-113-6/+5
| | | | | | | | | | | | * Since all ebuilds in the tree are EAPI>=4, `|| die` on builtin commands is redundant and dead code. Closes: https://github.com/gentoo/gentoo/pull/13940 Reviewed-by: Ulrich Müller <ulm@gentoo.org> Reviewed-by: Michał Górny <mgorny@gentoo.org> Reviewed-by: Andreas K. Hüttel <dilfridge@gentoo.org> Signed-off-by: David Seifert <soap@gentoo.org>
* */*: [QA] Fix trivial cases of MissingTestRestrictMichał Górny2019-12-119-6/+15
| | | | | | | | | | | | | | | | | | The result was achieved via the following pipeline: pkgcheck scan -c RestrictTestCheck -R FormatReporter \ --format '{category}/{package}/{package}-{version}.ebuild' | xargs -n32 grep -L RESTRICT | xargs -n32 sed -i -e '/^IUSE=.*test/aRESTRICT="!test? ( test )"' The resulting metadata was compared before and after the change. Few Go ebuilds had to be fixed manually due to implicit RESTRICT=strip added by the eclass. Two ebuilds have to be fixed because of multiline IUSE. Suggested-by: Robin H. Johnson <robbat2@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/13942 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* profiles/package.mask: drop last-rited pkgsAaron Bauman2019-12-086-145/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/molden: remove unused patchesMichael Mair-Keimberger2019-12-062-50/+0
| | | | | | Signed-off-by: Michael Mair-Keimberger <m.mairkeimberger@gmail.com> Closes: https://github.com/gentoo/gentoo/pull/13882 Signed-off-by: Aaron Bauman <bman@gentoo.org>
* 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>