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* 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
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* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-041-1/+2
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* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-042-1/+38
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* 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
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* Turn 2 patches into a single one with 4 lines of changes.Donnie Berkholz2005-12-045-170/+38
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* 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
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* New GUI front-end for computational chemistry.Donnie Berkholz2005-12-029-0/+159
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* Moved to sci-libs.Donnie Berkholz2005-12-025-58/+0
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* libghemical moved from sci-chemistry to sci-libs.Donnie Berkholz2005-12-021-9/+9
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* libghemical moved from sci-chemistry to sci-libs.Donnie Berkholz2005-12-022-3/+6
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* 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
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* Added italian metadata description. Bug #101730.Diego Elio Pettenò2005-11-201-0/+3
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* New version with lots of bugfixesMarkus Dittrich2005-11-201-2/+2
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* New version with lots of bugfixesMarkus Dittrich2005-11-205-4/+125
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* 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
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* 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
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* marked gamess-05272005.ebuild as ~x86Markus Dittrich2005-11-081-1/+4
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* Changed maintainter to markusle@gentoo.orgMarkus Dittrich2005-11-031-1/+1
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* Changed maintainter to markusle@gentoo.orgMarkus Dittrich2005-11-031-2/+2
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* Remove depend on \!<app-text/ghostscript-7.07.1-r2 because we no longer have ↵Stefan Schweizer2005-11-021-13/+3
| | | | | | | such an old ghostscript (Portage version: 2.0.53_rc7) (Unsigned Manifest commit)
* Remove depend on \!<app-text/ghostscript-7.07.1-r2 because we no longer have ↵Stefan Schweizer2005-11-022-3/+6
| | | | | | such an old ghostscript (Portage version: 2.0.53_rc7)
* Initial importOlivier Fisette2005-10-201-1/+2
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* Initial importOlivier Fisette2005-10-205-0/+80
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* New versionOlivier Fisette2005-10-201-2/+2
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* New versionOlivier Fisette2005-10-204-12/+56
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* New version. Removing obsolete version.Olivier Fisette2005-10-181-2/+2
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* New version. Removing obsolete version.Olivier Fisette2005-10-185-27/+40
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* (#109184) Bump. Main change in ebuild is adding a check for fftw built w/ ↵Donnie Berkholz2005-10-141-4/+6
| | | | | | | mpi if trying to build w/ mpi. One of the more interesting upstream changes is the addition of x86-64 and ia64 assembly. (Portage version: 2.0.53_rc5) (Unsigned Manifest commit)
* (#109184) Bump. Main change in ebuild is adding a check for fftw built w/ ↵Donnie Berkholz2005-10-143-1/+82
| | | | | | mpi if trying to build w/ mpi. One of the more interesting upstream changes is the addition of x86-64 and ia64 assembly. (Portage version: 2.0.53_rc5)