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* sci-chemistry/chemex: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Revbump post dep changeMichał Górny2020-01-222-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Use HTTPSMichał Górny2020-01-162-4/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrglue: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Permit numpy-python2Michał Górny2020-01-164-8/+20
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Permit numpy-python2Michał Górny2020-01-162-2/+8
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/ParmEd: Remove Python 2Michał Górny2020-01-162-2/+2
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrglue: Remove Python 2Michał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/GromacsWrapper: Remove Python 2Michał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/chemex: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/votca-ctp: live ebuild removal due missing depsChristoph Junghans2020-01-121-71/+0
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-01-123-34/+50
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-01-123-3/+37
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-01-123-11/+98
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: fix depsChristoph Junghans2020-01-122-4/+4
| | | | | | Closes: https://bugs.gentoo.org/705202 Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/gromacs: amd64 stable wrt bug #703796Agostino Sarubbo2020-01-091-2/+2
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* */*: 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>