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* sci-chemistry/chooch: drop dead packageAisha Tammy2020-09-266-148/+0
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/acpyp: drop dead packageAisha Tammy2020-09-263-42/+0
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/ambertools: drop dead packageAisha Tammy2020-09-2614-4531/+0
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* dev-python/scipy: mass dependency name updateAisha Tammy2020-09-241-1/+1
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/coot: drop packageAisha Tammy2020-09-227-295/+0
| | | | | | | maintainer AWOL Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/wxmacmolplt: drop packageAisha Tammy2020-09-223-70/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/pymol: drop packageAisha Tammy2020-09-223-128/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/gnome-chemistry-utils: drop packageAisha Tammy2020-09-225-193/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/GromacsWrapper: drop packageAisha Tammy2020-09-223-80/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/openbabel-perl: drop packageAisha Tammy2020-09-222-80/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/openbabel: drop packageAisha Tammy2020-09-222-117/+0
| | | | | | | present in ::gentoo Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Aisha Tammy <gentoo@aisha.cc>
* sci-chemistry/openbabel-ruby: remove from tree.Benda Xu2020-02-032-99/+0
| | | | | | | | The ebuild is under maintained and without any normal ebuild verions. The ruby targets are not updated since ruby21. Bug: https://bugs.gentoo.org/707558 Signed-off-by: Benda Xu <heroxbd@gentoo.org>
* sci-chemistry/relion: Set build type to releaseAlexey Shvetsov2019-10-301-6/+1
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/relion: Fix altcpu with cudaAlexey Shvetsov2019-10-301-1/+1
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/MotionCor2: Fix tarboll nameAlexey Shvetsov2019-10-301-1/+1
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/relion: Update rdepsAlexey Shvetsov2019-10-301-1/+5
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/relion: Add relionAlexey Shvetsov2019-10-303-0/+62
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/MotionCor2: Add motioncor2Alexey Shvetsov2019-10-293-0/+66
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/ctffind: Add new packageAlexey Shvetsov2019-10-293-0/+45
| | | | | Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gamess: fix openmp support detectionAndrew Savchenko2018-10-281-4/+1
| | | | | | | | | | | tc-has-openmp checks C compiler for openmp support. While in most cases Fortran compiler with have this support as well if C one has, we need to check Fortran compiler explicitely to be absolutely sure. fortran-2 eclass has FORTRAN_NEED_OPENMP variable for such check to be performed. Signed-off-by: Andrew Savchenko <bircoph@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* sci-chemistry/coot: ADd missing SLOTJustin Lecher2018-10-271-2/+2
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* Drop obsolete packagesJustin Lecher2018-10-2714-435/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Sort keywordsJustin Lecher2018-10-273-3/+3
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/gamess: add memory check for USE=msuccAndrew Savchenko2018-10-252-2/+14
| | | | | Signed-off-by: Andrew Savchenko <bircoph@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* sci-chemistry/gamess: remove oldAndrew Savchenko2018-10-243-540/+0
| | | | | | | Old version sources are no longer reachable. Signed-off-by: Andrew Savchenko <bircoph@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* sci-chemistry/gamess: version bumpAndrew Savchenko2018-10-244-1/+562
| | | | | | | | | | - Update for September 30, 2018 R3 release. - Add optional openmp support. - Optionally enable vb2000 and msucc solvers. MSUCC is not well tested yet and requires lots of RAM. Signed-off-by: Andrew Savchenko <bircoph@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
* drop due to broken depsJustin Lecher2018-06-215-194/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/modeller: Version bumpAlexey Shvetsov2018-04-062-0/+146
| | | | Package-Manager: Portage-2.3.28, Repoman-2.3.9
* Update Manifests to new hashesJustin Lecher2017-12-1071-130/+130
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Second try to clean spaces in metadata.xmlJustin Lecher2017-11-1814-106/+106
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Consistently ident with tabsJustin Lecher2017-11-1888-524/+524
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/specView: Dropped due to missing dependencyJustin Lecher2017-11-187-370/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/redcat: Drop due to unmet dependencyJustin Lecher2017-11-184-88/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/chemBuild: Dropped due to unmet dependenciesJustin Lecher2017-11-186-188/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/acpype: Move from treeAlexey Shvetsov2017-06-163-0/+42
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.2
* Cleanup remote IDsJustin Lecher2017-04-3014-17/+14
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Update remote idsJustin Lecher2017-04-291-1/+4
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/xplor-nih: Drop obsolete ncurses versionJustin Lecher2017-03-261-6/+3
| | | | | Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/phenix-bin: Drop obsolete ncurses versionJustin Lecher2017-03-263-133/+3
| | | | | | | Drop old Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/nmrpipe: Drop obsolete ncurses versionJustin Lecher2017-03-262-7/+4
| | | | | Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/nwchem: QA drop CVS left overJustin Lecher2017-02-251-2/+1
| | | | | Package-Manager: Portage-2.3.3, Repoman-2.3.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Drop leftover from CVS in HEADERJustin Lecher2017-02-25108-108/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Drop quoting form EAPIJustin Lecher2017-02-052-2/+2
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Drop all non *86 KEYWORDSJustin Lecher2017-02-052-2/+2
| | | | | | | I heavily doubt we are supporting any other architecture. If I am wrong, please file a bug and I will add back the KEYWORDS Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Shorten all DESCRIPTION to <80 charsJustin Lecher2017-02-0511-11/+11
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/ball: QA fixesJustin Lecher2017-01-291-3/+3
| | | | | | | | Bump to EAPI 6 add slot operator Package-Manager: Portage-2.3.3, Repoman-2.3.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/erkale: QA fixesJustin Lecher2017-01-291-3/+4
| | | | | | | | Add missing subslot operator add missing virtual/pkgconfig Package-Manager: Portage-2.3.3, Repoman-2.3.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/mgltools-opengltk: QA fixesJustin Lecher2017-01-291-3/+3
| | | | | | | Add slot operator Package-Manager: Portage-2.3.3, Repoman-2.3.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/wxmacmolplt: QA fixesJustin Lecher2017-01-294-144/+4
| | | | | | | | | BUMP EAPI to 6 Add missing subslot operator Drop old Package-Manager: Portage-2.3.3, Repoman-2.3.1 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* Drop old packageJustin Lecher2017-01-129-436/+0
| | | | | | Requires gtk:1 Signed-off-by: Justin Lecher <jlec@gentoo.org>