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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* sci-chemistry/vmd: Needs to be rebuilt with gromacs updatesPacho Ramos2018-11-101-2/+2
* sci-chemistry/GromacsWrapper: remove unused patch(es).Michael Mair-Keimberger2018-11-081-28/+0
* sci-chemistry/pymol: Version bumpAlexey Shvetsov2018-11-083-116/+6
* sci-chemistry/gromacs: Drop duplicate KEYWORDS lineAndreas Sturmlechner2018-10-2812-15/+3
* sci-chemistry/gromacs: amd64 stable wrt bug #669322Mikle Kolyada2018-10-272-4/+4
* sci-chemistry/tm-align: Drop oldAndreas Sturmlechner2018-10-262-27/+0
* sci-chemistry/tm-align: x86 stable (bug #668654)Thomas Deutschmann2018-10-261-1/+1
* sci-chemistry/gromacs: x86 stable (bug #669322)Thomas Deutschmann2018-10-262-4/+4
* sci-chemistry/tm-align: amd64 stable wrt bug #668654Mikle Kolyada2018-10-251-1/+1
* sci-chemistry/votca-csg: 1.4.1 doesn't support gmx-2019Christoph Junghans2018-10-241-2/+2
* sci-chemistry/gromacs: fix python depChristoph Junghans2018-10-231-2/+6
* sci-chemistry/gromacs: New beta versionAlexey Shvetsov2018-10-235-5/+591
* sci-chemistry/gromacs: Drop ~alpha ~ppc64 and ~sparcAlexey Shvetsov2018-10-225-7/+7
* sci-chemistry/gromacs: Fix deps. Drop unnededAlexey Shvetsov2018-10-229-559/+12
* sci-chemistry/tm-align: stable 20150914 for ppc/ppc64, bug #668654Sergei Trofimovich2018-10-151-1/+1
* sci-chemistry/apbs: httpsAndreas Sturmlechner2018-10-141-1/+1
* sci-chemistry/apbs: Sort and fix DEPENDsAndreas Sturmlechner2018-10-141-4/+4
* sci-chemistry/apbs: Several missing || dieAndreas Sturmlechner2018-10-141-5/+9
* sci-chemistry/tm-align: EAPI-6 bumpAndreas Sturmlechner2018-10-141-4/+4
* sci-chemistry/openbabel-perl: Drop 2.3.2Andreas Sturmlechner2018-10-144-222/+0
* sci-chemistry/openbabel-python: Drop 2.3.2Andreas Sturmlechner2018-10-145-428/+0
* sci-chemistry/openbabel: Drop 2.3.2-r1Andreas Sturmlechner2018-10-143-120/+0
* sci-chemistry/votca-xtp: fixed depsChristoph Junghans2018-10-021-1/+3
* sci-chemistry/votca-xtp: fix depsChristoph Junghans2018-09-281-2/+2
* sci-chemistry/votca-ctp: fixed depsChristoph Junghans2018-09-281-8/+3
* sci-chemistry/votca-csgapps: fix depsChristoph Junghans2018-09-281-2/+4
* sci-chemistry/votca-csg: fix depsChristoph Junghans2018-09-283-10/+11
* sci-chemistry/votca-ctp: votca-moo is now part of votca-ctpChristoph Junghans2018-09-271-4/+3
* sci-chemistry/votca-xtp: fix depsChristoph Junghans2018-09-272-6/+6
* sci-chemistry/votca-xtp: votca-moo is now part of votca-ctpChristoph Junghans2018-09-271-5/+4
* sci-chemistry/ParmEd: Version bumpAlexey Shvetsov2018-09-042-0/+42
* sci-chemistry/GromacsWrapper: Version bumpAlexey Shvetsov2018-09-044-87/+8
* sci-chemistry/xds-bin: Remove support for non-existent depsMichał Górny2018-08-261-5/+2
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2018-08-232-0/+273
* sci-chemistry/nmrdepaker: Introduce nmrdepaker softwarePacho Ramos2018-07-203-0/+41
* sci-chemistry/mdtraj: Fix newlineAlexey Shvetsov2018-06-291-1/+1
* sci-chemistry/mdtraj: Initial importAlexey Shvetsov2018-06-293-0/+43
* profiles/updates: sci-chemistry/mdanalysis is now sci-chemistry/MDAnalysisAlexey Shvetsov2018-06-283-43/+0
* sci-chemistry/MDAnalysis: Version bumpAlexey Shvetsov2018-06-283-0/+41
* sci-chemistry/gromacs: fix cmake optionsChristoph Junghans2018-06-252-3/+1
* sci-chemistry/vmd: Update metadataAlexey Shvetsov2018-06-201-1/+1
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2018-06-142-0/+274
* sci-chemistry/modeller: use HTTPsMichael Mair-Keimberger2018-06-111-2/+2
* sci-chemistry/xdsstat-bin: use HTTPsMichael Mair-Keimberger2018-06-111-2/+2
* sci-chemistry/modeller: Import from science overlayAlexey Shvetsov2018-06-083-0/+154
* sci-chemistry/gromacs: Bump =)Alexey Shvetsov2018-06-067-1384/+2
* sci-chemistry/molsketch: Drop oldAndreas Sturmlechner2018-06-064-95/+0
* sci-chemistry/cyana: remove last rited packageMikle Kolyada2018-06-027-201/+0
* sci-chemistry/*: Update dependencies (x11-proto/* -> x11-base/xorg-proto).Arfrever Frehtes Taifersar Arahesis2018-05-212-7/+5
* sci-chemistry/mdanalysis: use HTTPSMichael Mair-Keimberger2018-05-161-2/+2