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* sci-chemistry/gromacs: version bumpChristoph Junghans2018-01-192-0/+274
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.3
* sci-chemistry/avogadro: Drop oldAndreas Sturmlechner2018-01-195-169/+0
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Add xdg-utilsAndreas Sturmlechner2018-01-161-1/+11
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: 1.2.0_p20170207 version bumpAndreas Sturmlechner2018-01-163-0/+94
| | | | | | | Thanks-to: Michelangelo Scopelliti <kernelpanic@gmx.it> Closes: https://bugs.gentoo.org/594630 Closes: https://bugs.gentoo.org/604604 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Drop oldAndreas Sturmlechner2018-01-145-188/+0
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Fix cmake w/ >=GCC-6Andreas Sturmlechner2018-01-142-1/+25
| | | | | | | Using the upstream patch, even if it is not the proper solution. Closes: https://bugs.gentoo.org/619544 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: EAPI 6, missing depsAndreas Sturmlechner2018-01-141-8/+9
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: Fix cmake errorAndreas Sturmlechner2018-01-142-0/+111
| | | | | Closes: https://bugs.gentoo.org/596972 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: Fix HOMEPAGEAndreas Sturmlechner2018-01-141-2/+2
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/gperiodic: Test LINGUAS rather than linguas_* USE flags.Ulrich Müller2018-01-061-3/+2
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/massxpert: Remove linguas_* from IUSE.Ulrich Müller2018-01-051-5/+1
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/gromacs: version bumpChristoph Junghans2017-12-312-2/+2
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.3
* sci-chemistry/xdsstat-bin: Bump to new hash algosJustin Lecher2017-12-181-2/+2
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Switch back to tar.gzJustin Lecher2017-12-182-2/+2
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Drop old patchesJustin Lecher2017-12-181-151/+0
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Bump to EAPI=6Justin Lecher2017-12-185-123/+24
| | | | | | | | | | | * drop old * Fix for new RPC siutation * fix for new hash algos Closes: https://bugs.gentoo.org/638354 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/tinker: Version BumpJustin Lecher2017-12-185-38/+24
| | | | | | Closes: https://bugs.gentoo.org/640608 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/xdsstat-bin: Version BumpJustin Lecher2017-12-181-2/+2
| | | | | | Closes: https://bugs.gentoo.org/586508 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/shelx: Update to latest hashing algosJustin Lecher2017-12-181-18/+18
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/pymol-plugins-caver: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/platon: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/procheck: Update to latest hashing algosJustin Lecher2017-12-181-3/+3
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/parassign: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/cyana: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/cns: Update to latest hashing algosJustin Lecher2017-12-181-4/+4
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/aria: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6 RepoMan-Options: --force
* sci-chemistry/molmol-2k_p2-r5: amd64 stableTobias Klausmann2017-12-161-1/+1
| | | | Gentoo-Bug: http://bugs.gentoo.org/630350
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2017-12-123-77/+2
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.4
* sci-chemistry/molmol: x86 stable (bug #630350)Thomas Deutschmann2017-12-121-1/+1
| | | | Package-Manager: Portage-2.3.16, Repoman-2.3.6
* sci-chemistry/coot: Host testcases on gentoo infraJustin Lecher2017-12-102-2/+2
| | | | | | Closes: https://bugs.gentoo.org/640606 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.17, Repoman-2.3.6
* sci-chemistry/coot: Partially update Manifest hashes.Ulrich Müller2017-12-101-1/+1
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* sci-chemistry/molscript: Update Manifest hashes.Ulrich Müller2017-12-101-1/+1
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* sci-chemistry/msms-bin: Update Manifest hashes.Ulrich Müller2017-12-101-2/+2
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* sci-chemistry/aqua: Update Manifest hashes.Ulrich Müller2017-12-101-2/+2
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* sci-chemistry/ccpn: Update Manifest hashes.Ulrich Müller2017-12-101-6/+6
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* sci-chemistry/*: Update Manifest hashesMichał Górny2017-12-1089-147/+147
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* sci-chemistry/vmd: Version bumpAlexey Shvetsov2017-12-082-2/+254
| | | | Package-Manager: Portage-2.3.16, Repoman-2.3.6
* sci-chemistry/suitename: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/shelx: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/propka: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/prekin: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/pdbcns: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/pdb2pqr: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/pdb-tools: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-022-2/+2
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* sci-chemistry/msms-bin: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/molscript: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/gsim: [QA] Fix DESCRIPTION.toolongDavid Seifert2017-12-021-1/+1
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* sci-chemistry/gromacs: Add opencl support and 2018_beta1Alexey Shvetsov2017-12-015-0/+622
| | | | Package-Manager: Portage-2.3.16, Repoman-2.3.6
* sci-chemistry/relax: [QA] Consistent whitespace in metadata.xmlDavid Seifert2017-11-251-24/+24
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* sci-chemistry/prodecomp: [QA] Consistent whitespace in metadata.xmlDavid Seifert2017-11-251-14/+14
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