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path: root/sci-chemistry
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* profiles: Remove last-rited packagesAndreas Sturmlechner2017-10-303-40/+0
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* sci-chemistry/molmol: Move patches to dist tarballDavid Seifert2017-10-3013-2540/+36
| | | | Package-Manager: Portage-2.3.11, Repoman-2.3.3
* sci-chemistry/molmol: stable 2k_p2-r5 for ppc, bug #630350Sergei Trofimovich2017-10-291-2/+2
| | | | | Package-Manager: Portage-2.3.13, Repoman-2.3.4 RepoMan-Options: --include-arches="ppc"
* sci-chemistry/reduce: remove unused patch.Michael Mair-Keimberger2017-10-271-22/+0
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* sci-chemistry/molsketch: remove unused patch.Michael Mair-Keimberger2017-10-271-16/+0
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* sci-chemistry/jmol: remove unused patches.Michael Mair-Keimberger2017-10-272-362/+0
| | | | Closes: https://github.com/gentoo/gentoo/pull/5721
* sci-chemistry/tm-align: [QA] Add cmake-utils_src_prepareDavid Seifert2017-10-152-2/+6
| | | | Package-Manager: Portage-2.3.11, Repoman-2.3.3
* sci-chemistry/openbabel-perl: [QA] Add cmake-utils_src_prepareDavid Seifert2017-10-152-2/+2
| | | | Package-Manager: Portage-2.3.11, Repoman-2.3.3
* sci-chemistry/molequeue: [QA] Add cmake-utils_src_prepareDavid Seifert2017-10-151-1/+2
| | | | Package-Manager: Portage-2.3.11, Repoman-2.3.3
* sci-chemistry/massxpert: [QA] Add cmake-utils_src_prepareDavid Seifert2017-10-151-2/+3
| | | | Package-Manager: Portage-2.3.11, Repoman-2.3.3
* sci-chemistry/openbabel-python: avoid installing python modules to /lib/Michael Palimaka2017-10-051-1/+1
| | | | Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/openbabel-perl: stabilise 2.4.11 for x86Michael Palimaka2017-10-051-1/+1
| | | | | Bug: https://bugs.gentoo.org/625088 Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/openbabel-python: stabilise 2.4.1 for x86Michael Palimaka2017-10-051-1/+1
| | | | | Bug: https://bugs.gentoo.org/625088 Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/openbabel: stabilise 2.4.1 for x86Michael Palimaka2017-10-051-1/+1
| | | | | Bug: https://bugs.gentoo.org/625088 Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/pymol-plugins-dynamics: Version BumpJustin Lecher2017-10-022-0/+38
| | | | | Package-Manager: Portage-2.3.10, Repoman-2.3.3 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/molequeue: remove 0.7.1Michael Palimaka2017-09-242-58/+0
| | | | Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/avogadro2: remove oldMichael Palimaka2017-09-245-264/+0
| | | | Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/dssp: Fix boost TR1 header includeDavid Seifert2017-09-162-13/+97
| | | | | Closes: https://bugs.gentoo.org/630776 Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/gromacs: version bumpChristoph Junghans2017-09-152-0/+278
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/rasmol: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/surf: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/ghemical: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/openbabel-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/openbabel-perl-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/openbabel-python-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/avogadro: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/pdb2pqr: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/pymol: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/votca-ctp: add refChristoph Junghans2017-09-041-0/+8
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: fix doc buildChristoph Junghans2017-09-041-0/+1
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: live ebuild updateChristoph Junghans2017-09-031-7/+4
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-ctp: initial commitChristoph Junghans2017-09-032-0/+57
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csg: live ebuild updateChristoph Junghans2017-09-032-16/+3
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2017-09-032-0/+73
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2017-09-032-0/+32
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csg: version bumpChristoph Junghans2017-09-032-0/+116
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/tinker: add a blocker on sys-apps/bar.Patrice Clement2017-08-191-1/+3
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/593712 Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/icm: Remove last-rited pkg, #622414Michał Górny2017-08-146-619/+0
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* sci-chemistry/ccpn: fix HOMEPAGEMichael Mair-Keimberger (asterix)2017-08-135-5/+5
| | | | Closes: https://github.com/gentoo/gentoo/pull/5315
* sci-chemistry/openbabel-python-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/openbabel-perl-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/openbabel-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/gromacs: use HTTPS for GitHub and doc linksDavid Hicks2017-07-3011-31/+31
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/ParmEd: use HTTPS for GitHub, update HOMEPAGEDavid Hicks2017-07-301-4/+2
| | | | | | | * Use HTTPS for accessing GitHub domains * Update HOMEPAGE to point of redirection Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-csgapps: use HTTPS for GitHubDavid Hicks2017-07-302-3/+3
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-csg: use HTTPS for GitHub and doc linksDavid Hicks2017-07-302-9/+9
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-xtp: use HTTPS for GitHub and doc linksDavid Hicks2017-07-302-5/+5
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/GromacsWrapper: use HTTPS for GitHubDavid Hicks2017-07-303-12/+6
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/gamessq: Remove last-rited pkg, #564104Michał Górny2017-07-053-35/+0
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* sci-chemistry/openbabel-python: fix installation in Prefix, thanks nanikata ↵Fabian Groffen2017-06-201-1/+1
| | | | | | in bug #619498 Package-Manager: Portage-2.3.6, Repoman-2.3.1