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* sci-chemistry/theseus: call pkg-config via toolchain-funcs.eclass helperSam James2021-04-131-2/+2
* sci-chemistry/tinker: add missing pkgconfig (B)DEPENDSam James2021-04-121-4/+6
* sci-chemistry/gromacs: version bump to 2021.1Alexey Shvetsov2021-04-122-0/+348
* sci-chemistry/gromacs: version bump to 2020.6Alexey Shvetsov2021-04-122-0/+344
* sci-chemistry/GromacsWrapper: fix RDEPEND typoSam James2021-04-121-2/+4
* sci-chemistry/avogadro2: fix DEPEND typoSam James2021-04-121-2/+2
* sci-chemistry/votca-csgapps: Drop 1.6Andreas Sturmlechner2021-04-052-33/+0
* sci-chemistry/votca-csg: Drop 1.6Andreas Sturmlechner2021-04-052-94/+0
* sci-chemistry/votca-xtp: Drop 1.6Andreas Sturmlechner2021-04-052-45/+0
* sci-chemistry/wxmacmolplt: need-wxwidgets -> setup-wxwidgetsDavid Seifert2021-04-041-10/+11
* sci-chemistry/gromacs: fix variable referencesSam James2021-04-036-12/+12
* sci-chemistry/GromacsWrapper: fix variable referencesSam James2021-04-031-1/+1
* sci-chemistry/openbabel: Stabilize 2.4.1-r2 x86, #722860Sam James2021-03-281-1/+1
* sci-chemistry/votca-xtp: x86 stable wrt bug #773175Agostino Sarubbo2021-03-281-1/+1
* sci-chemistry/votca-csgapps: x86 stable wrt bug #773175Agostino Sarubbo2021-03-281-1/+1
* sci-chemistry/votca-csg: x86 stable wrt bug #773175Agostino Sarubbo2021-03-281-1/+1
* sci-chemistry/openbabel: amd64 stable wrt bug #722860Agostino Sarubbo2021-03-281-1/+1
* sci-chemistry/numbat: port to EAPI 7Sam James2021-03-281-19/+23
* sci-chemistry/openbabel: Fix gcc10 build and use wxGTK:gtk3.0Pacho Ramos2021-03-282-0/+163
* sci-chemistry/votca-xtp: Stabilize 1.6.4 amd64, #773175Sam James2021-03-271-1/+1
* sci-chemistry/votca-csgapps: Stabilize 1.6.4 amd64, #773175Sam James2021-03-271-1/+1
* sci-chemistry/votca-csg: Stabilize 1.6.4 amd64, #773175Sam James2021-03-271-1/+1
* sci-chemistry/votca-csg: live ebuild updatesChristoph Junghans2021-03-191-1/+3
* sci-chemistry/votca-xtp: live ebuild updatesChristoph Junghans2021-03-191-2/+11
* */*: Normalize metadata.xml filesMichał Górny2021-03-162-2/+1
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2021-03-142-0/+44
* sci-chemistry/votca-csg: version bumpChristoph Junghans2021-03-143-5/+90
* sci-chemistry/chemex: Support python 3.9, fix testsPacho Ramos2021-03-081-6/+4
* sci-chemistry/votca-xtp: Fix EAPI-7 bump, drop unused multilibAndreas Sturmlechner2021-02-282-30/+26
* sci-chemistry/votca-csgapps: Drop CMAKE_MAKEFILE_GENERATOR=ninjaAndreas Sturmlechner2021-02-281-9/+7
* sci-chemistry/votca-csg: Fix EAPI-7 bump, drop unused multilibAndreas Sturmlechner2021-02-282-44/+44
* sci-chemistry/molden: workaround gcc 10 (fortran) failureSam James2021-02-191-1/+6
* sci-chemistry/votca-xtp: fix double KEYWORDSSam James2021-02-153-3/+0
* sci-chemistry/votca-ctp: fix double KEYWORDSSam James2021-02-151-1/+0
* sci-chemistry/votca-csgapps: fix double KEYWORDSSam James2021-02-153-3/+0
* sci-chemistry/votca-csg: fix double KEYWORDSSam James2021-02-154-4/+0
* sci-chemistry/GromacsWrapper: fix double KEYWORDSSam James2021-02-151-2/+1
* sci-chemistry/gnome-chemistry-utils: Make repoman happyPacho Ramos2021-02-141-3/+3
* sci-chemistry/gnome-chemistry-utils: Many fixes from DebianPacho Ramos2021-02-142-0/+71
* sci-chemistry/prekin: Port to EAPI 7Jakov Smolic2021-02-144-8/+39
* sci-chemistry/vmd: Bump to 1.9.4_alpha51Pacho Ramos2021-02-122-0/+272
* sci-chemistry/gromacs: Version bump to releaseAlexey Shvetsov2021-02-012-2/+2
* */*: Remove obsolete values from PYTHON_COMPATMichał Górny2021-01-3116-16/+16
* sci-chemistry/gmxapi: drop RDEPEND on sci-libs/scikitsAisha Tammy2021-01-241-2/+1
* sci-chemistry/votca-csg: Remove oldJakov Smolic2021-01-188-715/+0
* sci-chemistry/votca-xtp: Remove oldJakov Smolic2021-01-189-480/+0
* sci-chemistry/votca-csgapps: Remove oldJakov Smolic2021-01-188-234/+0
* sci-chemistry/pymol: Remove oldJakov Smolic2021-01-181-115/+0
* sci-chemistry/votca-ctp: Remove oldJakov Smolic2021-01-182-73/+0
* sci-chemistry/openbabel: Remove oldJakov Smolic2021-01-181-94/+0