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path: root/sci-chemistry/gamess
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* Add missing depend on dev-util/pkgconfig wrt bug 332439. Thanks to Malcolm ↵Kacper Kowalik2010-08-123-10/+18
| | | | | | Galland <MalcolmGalland@letu.edu> for reporting. Package-Manager: portage-2.1.8.3/cvs/Linux x86_64
* [sci-chemistry/gamess] make it build with new buildsystemAlexey Shvetsov2010-05-304-31/+433
| | | | Package-Manager: portage-2.2_rc67/cvs/Linux x86_64
* [sci-chemistry/gamess] Fix typoAlexey Shvetsov2010-05-243-14/+9
| | | | Package-Manager: portage-2.2_rc67/cvs/Linux x86_64
* [sci-chemistry/gamess] Version bump. Also this version has improved qmmm supportAlexey Shvetsov2010-05-243-3/+336
| | | | Package-Manager: portage-2.2_rc67/cvs/Linux x86_64
* whitespaceMichael Sterrett2009-11-302-13/+3
| | | | Package-Manager: portage-2.1.6.13/cvs/Linux i686
* [sci-chemistry/gamess] Fix typo and add note about mpiAlexey Shvetsov2009-11-303-8/+21
| | | | Package-Manager: portage-2.2_rc54/cvs/Linux x86_64
* [sci-chemistry/gamess] Enable mpi build for gamess-us. It's usefull if you ↵Alexey Shvetsov2009-11-303-2/+298
| | | | | | have for example cluster with Infiniband interconnect Package-Manager: portage-2.2_rc54/cvs/Linux x86_64
* Stable on ppc.Mounir Lamouri2009-11-073-5/+9
| | | | | Bug 268848. Package-Manager: portage-14478-svn/cvs/Linux ppc
* Version bump and removed old ebuilds.Markus Dittrich2009-10-237-1018/+70
| | | | Package-Manager: portage-2.1.7.1/cvs/Linux x86_64
* Use elog for fetch error.Diego Elio Pettenò2009-07-071-5/+5
| | | | Package-Manager: portage-2.2_rc33/cvs/Linux x86_64
* Use elog for fetch error.Diego Elio Pettenò2009-07-072-9/+13
| | | | Package-Manager: portage-2.2_rc33/cvs/Linux x86_64
* amd64 stable, bug #268848Markus Meier2009-05-233-8/+11
| | | | Package-Manager: portage-2.1.6.11/cvs/Linux x86_64
* stable x86, bug 268848Christian Faulhammer2009-05-153-8/+12
| | | | Package-Manager: portage-2.1.6.11/cvs/Linux i686
* whitespaceAlexey Shvetsov2009-04-232-6/+6
| | | | Package-Manager: portage-2.2_rc31/cvs/Linux x86_64
* Add support of adjusting MM size at build time for GAMESS-USAlexey Shvetsov2009-04-233-7/+28
| | | | Package-Manager: portage-2.2_rc31/cvs/Linux x86_64
* Add QM/MM support to GAMESS-USAlexey Shvetsov2009-04-224-7/+252
| | | | Package-Manager: portage-2.2_rc31/cvs/Linux x86_64
* GAMESS version bumpAlexey Shvetsov2009-02-205-4/+605
| | | | Package-Manager: portage-2.2_rc23/cvs/Linux x86_64
* Made slight change to rungms script to allow parallel runs via environmental ↵Markus Dittrich2008-10-123-27/+51
| | | | | | variables (see bug #241394). Package-Manager: portage-2.2_rc11/cvs/Linux 2.6.26-SENTINEL-2 i686
* Add missing die: || "..." -> || die "..."Torsten Veller2008-06-296-21/+26
| | | | Package-Manager: portage-2.2_rc1/cvs/Linux 2.6.24-tuxonice-r9 i686
* revert stable KEYWORDS because the tarball is restricted and old ones won't ↵Christian Faulhammer2008-05-111-2/+12
| | | | | | be available from upstream. Requested by markusle by mail Package-Manager: portage-2.1.4.4
* revert stable KEYWORDS because the tarball is restricted and old ones won't ↵Christian Faulhammer2008-05-112-3/+8
| | | | | | be available from upstream. Requested by markusle by mail Package-Manager: portage-2.1.4.4
* Also re-added patch required for previously removed version.Markus Dittrich2008-05-102-0/+223
| | | | Package-Manager: portage-2.1.5_rc7
* Re-added accidentally removed stable version.Markus Dittrich2008-05-103-2/+222
| | | | | Package-Manager: portage-2.1.5_rc7 RepoMan-Options: --force
* Version bump (fixes bug #220855).Markus Dittrich2008-05-087-683/+374
| | | | Package-Manager: portage-2.1.5_rc7
* Version bumpMarkus Dittrich2008-03-186-18/+237
| | | | Package-Manager: portage-2.1.4.4
* Remove all old-style digests from the system and regen the Manifest files.Robin H. Johnson2008-01-314-42/+0
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* whitespaceMichael Sterrett2007-10-272-6/+6
| | | | Package-Manager: portage-2.1.3.9
* Version bump and keyworded gamess for amd64. An external blas library is now ↵Markus Dittrich2007-10-275-5/+577
| | | | | | mandatory. Package-Manager: portage-2.1.3.15
* Fixed bad RDEPEND.Markus Dittrich2007-08-194-17/+21
| | | | Package-Manager: portage-2.1.3.5
* whitespaceMichael Sterrett2007-07-131-18/+8
| | | | Package-Manager: portage-2.1.2.9
* whitespaceMichael Sterrett2007-07-132-4/+2
| | | | Package-Manager: portage-2.1.2.9
* stable x86, bug 183881Christian Faulhammer2007-07-033-11/+25
| | | | Package-Manager: portage-2.1.2.9
* whitespaceMichael Sterrett2007-06-261-8/+8
| | | | Package-Manager: portage-2.1.2.7
* whitespaceMichael Sterrett2007-06-262-6/+6
| | | | Package-Manager: portage-2.1.2.7
* Version bump and cleaned up unused patches.Markus Dittrich2007-04-179-306/+313
| | | | Package-Manager: portage-2.1.2.3
* QA: Removed unused versions.Danny van Dyk2007-01-075-482/+14
| | | | Package-Manager: portage-2.1.2_pre2-r1
* QA: Removed unused versions.Danny van Dyk2007-01-071-2/+6
| | | | Package-Manager: portage-2.1.2_pre2-r1
* Version bump. This version includes the NEO code.Markus Dittrich2006-12-145-5/+464
| | | | Package-Manager: portage-2.1.2_rc3-r2
* Version bump (see bug #149118). Also removed one old ebuild and its ↵Markus Dittrich2006-09-269-455/+16
| | | | | | accompanying files. Package-Manager: portage-2.1.2_pre1-r1
* Version bump (see bug #149118). Also removed one old ebuild and its ↵Markus Dittrich2006-09-264-1/+428
| | | | | | accompanying files. Package-Manager: portage-2.1.2_pre1-r1
* (#148281) Change herd to sci-chemistry from sci.Donnie Berkholz2006-09-201-8/+8
| | | | Package-Manager: portage-2.1.2_pre1
* (#148281) Change herd to sci-chemistry from sci.Donnie Berkholz2006-09-202-2/+5
| | | | Package-Manager: portage-2.1.2_pre1
* Changed the ebuild to provide the test scripts used to validate the gamess ↵Markus Dittrich2006-06-303-21/+26
| | | | | | test runs. This fixes bug #138516. Package-Manager: portage-2.1.1_pre1-r5
* Disable linking against external blas when compiling with ifc and print out ↵Markus Dittrich2006-06-233-12/+20
| | | | | | a warning. Package-Manager: portage-2.1.1_pre1-r1
* Removed ifc use flag and replaced it with fortran.eclass logicMarkus Dittrich2006-05-233-48/+45
| | | | Package-Manager: portage-2.1_rc2
* Convert leading spaces to tabs.Donnie Berkholz2006-05-144-23/+27
| | | | Package-Manager: portage-2.1_pre10-r5
* Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems.Donnie Berkholz2006-05-143-15/+40
| | | | Package-Manager: portage-2.1_pre10-r5
* Added patch to fix missing CLK_TCK with glibc-2.4.Markus Dittrich2006-03-284-8/+60
| | | | Package-Manager: portage-2.1_pre7-r1
* Version bump and changed the ebuild naming convention to start with the ↵Markus Dittrich2006-03-2313-589/+208
| | | | | | year since otherwise portage can't properly keep track of updates. Also removed obsolete ebuilds/patches. Package-Manager: portage-2.1_pre6-r5
* Made ebuild ready to compile and run properly using gfortran.Markus Dittrich2006-02-084-16/+83
| | | | Package-Manager: portage-2.1_pre4-r1