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* sci-chemistry/votca-xtp: update metadataChristoph Junghans2016-11-131-1/+1
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csgapps: update metadataChristoph Junghans2016-11-131-1/+1
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csg: update metadataChristoph Junghans2016-11-131-1/+1
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: update metadataChristoph Junghans2016-11-131-1/+1
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: version bumpChristoph Junghans2016-11-053-2/+281
| | | | Package-Manager: portage-2.3.0
* global: Drop dead implementations from PYTHON_COMPATMichał Górny2016-11-014-4/+4
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* sci-chemistry/votca-xtp: version bumpChristoph Junghans2016-10-292-2/+2
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2016-10-292-1/+1
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csg: version bumpChristoph Junghans2016-10-292-3/+3
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/pymol: Version BumpJustin Lecher2016-10-232-0/+110
| | | | | Package-Manager: portage-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/sparky: Allow for compiling with GCC 6David Seifert2016-10-072-18/+47
| | | | | | | | Gentoo-bug: 596012 * EAPI=6 * Patch by Peter Levine Package-Manager: portage-2.3.1
* sci-chemistry/xds-bin: Version bump to 20170430David Seifert2016-10-072-19/+17
| | | | | | | Gentoo-bug: 596294 * EAPI=6 Package-Manager: portage-2.3.1
* sci-chemistry/votca-xtp: initial commitChristoph Junghans2016-09-274-0/+159
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2016-09-272-0/+33
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/votca-csg: version bumpChristoph Junghans2016-09-272-0/+117
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/pymol: Version bumpAlexey Shvetsov2016-09-242-0/+110
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/reduce: Allow for compiling with GCC 6David Seifert2016-09-203-11/+24
| | | | | | | | Gentoo-bug: 594202 * EAPI=6 * Make PATCHES -p1 compliant Package-Manager: portage-2.3.1
* sci-chemistry/gelemental: Allow for compiling with GCC 6David Seifert2016-09-172-1/+16
| | | | | | Gentoo-bug: 593994 Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: fix build with mkl (bug #592786)Christoph Junghans2016-09-032-2/+14
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: add missing test depChristoph Junghans2016-08-251-1/+4
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: fix sandbox issue (bug #591952)Christoph Junghans2016-08-233-3/+9
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2016-08-192-0/+33
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csg: version bumpChristoph Junghans2016-08-192-0/+117
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: remove oldChristoph Junghans2016-08-173-557/+0
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: re-enable testing (bug #591174)Christoph Junghans2016-08-174-8/+8
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/massxpert: Cleanup per bug #146900Pacho Ramos2016-08-061-4/+0
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/jmol: Cleanup per bug #146900Pacho Ramos2016-08-061-4/+0
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gtk-gamess: Cleanup per bug #146900Pacho Ramos2016-08-061-4/+0
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/chemical-mime-data: Cleanup per bug #146900Pacho Ramos2016-08-061-4/+0
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: add release 2016Alexey Shvetsov2016-08-052-2/+2
| | | | Package-Manager: portage-2.3.0
* sourceforge: switch to https:// URIsMike Frysinger2016-07-277-7/+7
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* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2016-07-252-0/+271
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/chemical-mime-data: Drop unecessary or unfunctional depsJustin Lecher2016-07-201-5/+1
| | | | | Package-Manager: portage-2.3.0 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/GromacsWrapper: Version bumpAlexey Shvetsov2016-07-192-0/+38
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: update live ebuildChristoph Junghans2016-07-172-2/+2
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csgapps: import live ebuild from sciChristoph Junghans2016-07-141-0/+32
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csgapps: fix depsChristoph Junghans2016-07-141-1/+1
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csg: import live ebuild from sciChristoph Junghans2016-07-141-0/+114
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csg: fix cmake-3.4 build (bug #588834)Christoph Junghans2016-07-142-4/+67
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: import live builds from sci overlayChristoph Junghans2016-07-138-1/+1618
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: sync with sci overlay (bug #588648)Christoph Junghans2016-07-121-9/+9
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/gromacs: Add my as maintainerAlexey Shvetsov2016-07-111-0/+4
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: Clean up old versionAlexey Shvetsov2016-07-116-1398/+0
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2016-07-112-0/+271
| | | | Package-Manager: portage-2.3.0
* sci-chemistry/chemical-mime-data: add ~arm keywordMichael Palimaka2016-07-081-1/+1
| | | | | | Tested on Raspberry Pi 2. Package-Manager: portage-2.3.0
* sci-chemistry/ball: Fix Swig bug, qualify std::isnanDavid Seifert2016-06-055-14/+133
| | | | | | | | | | | Gentoo-Bug: 583932 * EAPI=6 * Also fix GCC warning pollution due to misplaced attributes * Add subslot operator for dev-libs/boost * Remove USE=webkit, as webkit is no longer supported Package-Manager: portage-2.3.0_rc1
* sci-chemistry/acpype: remove oldDavid Seifert2016-05-153-78/+0
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/votca-csg: Fix QA MissingSlotDepDavid Seifert2016-05-151-3/+3
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/povscript+: Fix QA MissingSlotDepDavid Seifert2016-05-151-3/+3
| | | | Package-Manager: portage-2.2.28
* sci-chemistry/molmol: Fix QA MissingSlotDepDavid Seifert2016-05-151-2/+2
| | | | Package-Manager: portage-2.2.28