Get Gentoo!
gentoo.org sites
gentoo.org Wiki Bugs Forums Packages
Planet Archives Sources
Infra Status
summaryrefslogtreecommitdiff
path: root/sci-chemistry
Commit message (Collapse)AuthorAgeFilesLines
* marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.orgMarkus Dittrich2005-12-131-2/+2
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.orgMarkus Dittrich2005-12-132-1/+8
| | | | (Portage version: 2.0.51.22-r3)
* Add modular X dependencies.Donnie Berkholz2005-12-121-3/+3
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* Add modular X dependencies.Donnie Berkholz2005-12-122-3/+15
| | | | (Portage version: 2.0.53)
* This revision has the TDHF code enabled, which should now work properly with ↵Markus Dittrich2005-12-071-2/+2
| | | | | | | the patched g77 (see bug #114367). (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* This revision has the TDHF code enabled, which should now work properly with ↵Markus Dittrich2005-12-075-1/+277
| | | | | | the patched g77 (see bug #114367). (Portage version: 2.0.51.22-r3)
* Bump. Remove faulty libf2c dep; Add modular X deps.Donnie Berkholz2005-12-061-1/+5
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* Bump. Remove faulty libf2c dep; Add modular X deps.Donnie Berkholz2005-12-065-1/+83
| | | | (Portage version: 2.0.53)
* New version. GCC-4 and 64-bit fixes, as well as new libmopac7.hDonnie Berkholz2005-12-061-4/+4
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* New version. GCC-4 and 64-bit fixes, as well as new libmopac7.hDonnie Berkholz2005-12-064-5/+11
| | | | (Portage version: 2.0.53)
* Don't overwrite the actual .int file, copy into ._cfg* for etc-update.Donnie Berkholz2005-12-041-2/+2
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* Don't overwrite the actual .int file, copy into ._cfg* for etc-update.Donnie Berkholz2005-12-042-2/+5
| | | | (Portage version: 2.0.53)
* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-041-1/+2
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-042-1/+38
| | | | (Portage version: 2.0.53)
* This new revision installs the rungms wrapper into /usr/bin to avoid that ↵Markus Dittrich2005-12-041-2/+2
| | | | | | | users have to copy it manually and to play well with WebMO. (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* This new revision installs the rungms wrapper into /usr/bin to avoid that ↵Markus Dittrich2005-12-046-2/+301
| | | | | | users have to copy it manually and to play well with WebMO. (Portage version: 2.0.51.22-r3)
* Turn 2 patches into a single one with 4 lines of changes.Donnie Berkholz2005-12-041-4/+3
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* Turn 2 patches into a single one with 4 lines of changes.Donnie Berkholz2005-12-045-170/+38
| | | | (Portage version: 2.0.53)
* Add a Web interface to a number of computational chemistry programs. Ones in ↵Donnie Berkholz2005-12-041-3/+3
| | | | | | | portage include mopac7, gamess and tinker. Also works for Gaussian, NWChem, QChem, Molpro, etc. What needs work: reinstallations without screwing the old configuration, and the reconfig script so editing globals.int isn't required. (Portage version: 2.0.53) (Unsigned Manifest commit)
* Add a Web interface to a number of computational chemistry programs. Ones in ↵Donnie Berkholz2005-12-049-0/+401
| | | | | | portage include mopac7, gamess and tinker. Also works for Gaussian, NWChem, QChem, Molpro, etc. What needs work: reinstallations without screwing the old configuration, and the reconfig script so editing globals.int isn't required. (Portage version: 2.0.53)
* Note that tinker script has hardcoded blackdown in it. This is needed ↵Donnie Berkholz2005-12-031-2/+2
| | | | | | | because java-config's exit codes return 0, even on failure. (Portage version: 2.0.53) (Unsigned Manifest commit)
* Note that tinker script has hardcoded blackdown in it. This is needed ↵Donnie Berkholz2005-12-032-2/+7
| | | | | | because java-config's exit codes return 0, even on failure. (Portage version: 2.0.53)
* (#35945) New molecular mechanics package. Heavily modified ebuild based on ↵Donnie Berkholz2005-12-031-4/+3
| | | | | | | that of Jeremy Warren <jwarren@cheesefoam.dyndns.org>. (Portage version: 2.0.53) (Unsigned Manifest commit)
* (#35945) New molecular mechanics package. Heavily modified ebuild based on ↵Donnie Berkholz2005-12-035-0/+157
| | | | | | that of Jeremy Warren <jwarren@cheesefoam.dyndns.org>. (Portage version: 2.0.53)
* Bumped GAMESS to most recent version and changed ebuild naming to properly ↵Markus Dittrich2005-12-031-2/+2
| | | | | | | reflect the revision number; this fixes bug #114278. Removed old ebuild. (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* Bumped GAMESS to most recent version and changed ebuild naming to properly ↵Markus Dittrich2005-12-036-27/+45
| | | | | | reflect the revision number; this fixes bug #114278. Removed old ebuild. (Portage version: 2.0.51.22-r3)
* (#53333) New molecular graphics package for visualizing and analyzing ↵Donnie Berkholz2005-12-031-1/+3
| | | | | | | structures. Based on ebuild by Dirk-Jan Heijs <heijs@phys.rug.nl>, with updates and fixes by me. (Portage version: 2.0.53) (Unsigned Manifest commit)
* (#53333) New molecular graphics package for visualizing and analyzing ↵Donnie Berkholz2005-12-036-0/+100
| | | | | | structures. Based on ebuild by Dirk-Jan Heijs <heijs@phys.rug.nl>, with updates and fixes by me. (Portage version: 2.0.53)
* Fix up modular X deps -- add libXp and libXi, remove libX11 and libXt as ↵Donnie Berkholz2005-12-021-2/+2
| | | | | | | redundant. (Portage version: 2.0.53) (Unsigned Manifest commit)
* Fix up modular X deps -- add libXp and libXi, remove libX11 and libXt as ↵Donnie Berkholz2005-12-022-4/+8
| | | | | | redundant. (Portage version: 2.0.53)
* New GUI front-end for computational chemistry.Donnie Berkholz2005-12-021-1/+3
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* New GUI front-end for computational chemistry.Donnie Berkholz2005-12-029-0/+159
| | | | (Portage version: 2.0.53)
* Moved to sci-libs.Donnie Berkholz2005-12-025-58/+0
|
* libghemical moved from sci-chemistry to sci-libs.Donnie Berkholz2005-12-021-9/+9
| | | | | (Portage version: 2.0.53) (Unsigned Manifest commit)
* libghemical moved from sci-chemistry to sci-libs.Donnie Berkholz2005-12-022-3/+6
| | | | (Portage version: 2.0.53)
* New molecular graphics package. GLUT license is for files/glutbitmap.h.Donnie Berkholz2005-11-211-2/+3
| | | | | (Portage version: 2.0.53_rc7) (Unsigned Manifest commit)
* New molecular graphics package. GLUT license is for files/glutbitmap.h.Donnie Berkholz2005-11-217-0/+180
| | | | (Portage version: 2.0.53_rc7)
* Reworked install process to avoid sandbox violations. This fixes bug #113056Markus Dittrich2005-11-201-2/+2
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* Reworked install process to avoid sandbox violations. This fixes bug #113056Markus Dittrich2005-11-203-9/+8
| | | | (Portage version: 2.0.51.22-r3)
* Added italian metadata description. Bug #101730.Diego Elio Pettenò2005-11-201-0/+3
|
* New version with lots of bugfixesMarkus Dittrich2005-11-201-2/+2
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* New version with lots of bugfixesMarkus Dittrich2005-11-205-4/+125
| | | | (Portage version: 2.0.51.22-r3)
* Improved wrapper scriptOlivier Fisette2005-11-151-2/+2
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* Improved wrapper scriptOlivier Fisette2005-11-156-2/+96
| | | | (Portage version: 2.0.51.22-r3)
* Changed charm dependency to sys-cluster/charm since charm has moved from ↵Markus Dittrich2005-11-101-2/+2
| | | | | | | sci-libs/charm to sys-cluster/charm (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* Changed charm dependency to sys-cluster/charm since charm has moved from ↵Markus Dittrich2005-11-104-6/+15
| | | | | | sci-libs/charm to sys-cluster/charm (Portage version: 2.0.51.22-r3)
* marked gamess-05272005.ebuild as ~x86Markus Dittrich2005-11-081-1/+1
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* marked gamess-05272005.ebuild as ~x86Markus Dittrich2005-11-081-1/+4
| | | | (Portage version: 2.0.51.22-r3)
* Changed maintainter to markusle@gentoo.orgMarkus Dittrich2005-11-031-1/+1
| | | | | (Portage version: 2.0.51.22-r3) (Unsigned Manifest commit)
* Changed maintainter to markusle@gentoo.orgMarkus Dittrich2005-11-031-2/+2
| | | | (Portage version: 2.0.51.22-r3)