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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* Incorporating #includes to fix gcc4.3 issues.Jeffrey Gardner2008-11-304-4/+29
* Fixing this so it can actually work. Sorry.Patrick Lauer2008-11-283-5/+10
* Bump to 2.98Patrick Lauer2008-11-273-12/+69
* Bump to 1.14Patrick Lauer2008-11-273-2/+73
* Re-assign to sci-chemistry herd.Samuli Suominen2008-11-243-7/+7
* Restrict fltk to 1.1 slot since vmd is not fltk-2 ready (see bug #246445). Re...Markus Dittrich2008-11-124-157/+12
* Fix quoting.Donnie Berkholz2008-11-074-14/+18
* Add OpenMP support.Donnie Berkholz2008-11-073-6/+92
* (#245504) This ebuild was wrongly updated for the blackdown removal, which br...Donnie Berkholz2008-11-063-5/+19
* Add ppc64 love for KDE 4.Mike Frysinger2008-11-023-13/+28
* Added new and significantly cleaned up revision which also fixes pre-strippin...Markus Dittrich2008-10-195-12/+92
* Fixed gcc-4.3 issues (see bug #239567).Markus Dittrich2008-10-194-15/+29
* smp USE-flag is global nowMarkus Meier2008-10-173-9/+9
* openmp USE-flag is global nowMarkus Meier2008-10-173-9/+9
* Added -ffixed-line-length-132 to FFLAGS to avoid gcc-4.1.2 errors due to line...Markus Dittrich2008-10-164-20/+15
* Latest version, closing bug #241474 thanks to Alexey ShvetsovJeffrey Gardner2008-10-123-2/+220
* Made slight change to rungms script to allow parallel runs via environmental ...Markus Dittrich2008-10-123-27/+51
* Version bump to pull in updated patch fixing bad install location for docs (s...Markus Dittrich2008-10-115-19/+58
* Added numpy dependency to stable ebuild as well (see bug #241178).Markus Dittrich2008-10-113-5/+9
* Added missing numpy dependency and fixed LDFLAGS issue (see bug #241178).Markus Dittrich2008-10-114-5/+24
* Fix build dependencies.Diego Elio Pettenò2008-10-103-7/+12
* Removed linking against -lf2c with gfortran since platon misbehaves otherwise...Markus Dittrich2008-10-073-13/+10
* fixing changelogJeffrey Gardner2008-10-062-3/+5
* Fixing changelog to reflect addition of gromacs-3.3.3.ebuildJeffrey Gardner2008-10-062-3/+6
* changelogJeffrey Gardner2008-10-062-2/+5
* Latest stable version, thanks to Alexey Shvetsov, closing bug #193532Jeffrey Gardner2008-10-063-11/+221
* Add slot deps.Petteri Räty2008-10-053-12/+16
* Changed Qt dependency to version 4.3.4 or newer (fixes bug #237543).Markus Dittrich2008-09-223-5/+9
* Version bump and removed old ebuilds (see bug #183828). Also added amd64 keyw...Markus Dittrich2008-08-304-97/+22
* goffice and libgsf need to be built with USE=gnome. check in pkg_setup andJeffrey Gardner2008-08-273-4/+22
* Only append -fopenmp to FFLAGS, not all compiler flags.Donnie Berkholz2008-08-203-8/+11
* Fix patchJeffrey Gardner2008-08-173-3/+7
* Version bump, thanks to jschmitz and hodak for the kick in the pants :)Jeffrey Gardner2008-08-179-7/+212
* Fix split qt4 deps wrt bug 217161.Ben de Groot2008-08-125-11/+18
* Add USE flag description to metadata wrt GLEP 56.Ulrich Müller2008-08-067-25/+65
* Add USE flag description to metadata wrt GLEP 56.Ulrich Müller2008-08-0614-11/+64
* Fix for gcc 4.3.Donnie Berkholz2008-08-054-6/+39
* (#212054) New package: ARP/wARP is a software for improvement and interpretat...Donnie Berkholz2008-08-046-0/+334
* (#209120) New package: X-ray Detector Software for processing single-crystal ...Donnie Berkholz2008-08-034-0/+90
* Bump. Keyword ~amd64; add OpenMP support for parallel refinement; (#209805) F...Donnie Berkholz2008-08-036-3/+455
* QA: Get rid of deprecated qt_min_version().Carsten Lohrke2008-07-273-5/+10
* Added gcc-4.3 compatibility patch.Markus Dittrich2008-07-274-17/+80
* Keyword ~x86, fix to build with gcc-4.3 and fixup build-deps.Peter Alfredsen2008-07-202-2/+31
* Keyword ~x86, fix to build with gcc-4.3 and fixup build-deps.Peter Alfredsen2008-07-202-30/+53
* Fix to use gfortranJeffrey Gardner2008-07-133-12/+68
* Version bump and fixed compile issue due to openbabel-2.2.0 API change (see b...Markus Dittrich2008-07-104-2/+73
* Fixed HOMEPAGE and SRC_URI (see bug #231147).Markus Dittrich2008-07-093-8/+11
* add missing test use flag to IUSEMichael Sterrett2008-07-082-13/+3
* Bump. Upstream dropped gamess support and the toolbar. (#226915) No more need...Donnie Berkholz2008-07-083-3/+82
* Bump. Pull in newer libf2c so configure doesn't fail.Donnie Berkholz2008-07-083-3/+74