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* New electrostatic potential package: Macroscopic Electrostatics with Atomic D...Donnie Berkholz2005-12-176-0/+128
* A crystallographic real-space electron-density refinement and optimization pr...Donnie Berkholz2005-12-166-0/+134
* Thermal ellipsoid plot program for crystal structure illustrations.Donnie Berkholz2005-12-164-0/+52
* Another crystallography package. This one considers itself a versatile, SHELX...Donnie Berkholz2005-12-166-0/+83
* Fix SRC_URI.Donnie Berkholz2005-12-153-6/+9
* Fix license. The author informed me by email that it's intended to be freely ...Donnie Berkholz2005-12-153-5/+9
* MAID does automatic fitting of protein X-ray crystallography electron density...Donnie Berkholz2005-12-157-0/+1080
* Update rasmol script to fall back to xdpyinfo if xwininfo isn't available. De...Donnie Berkholz2005-12-155-5/+91
* (#115649) Add rman to modular X deps.Donnie Berkholz2005-12-153-4/+9
* Add modular X dependencies.Donnie Berkholz2005-12-153-6/+21
* marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.orgMarkus Dittrich2005-12-133-3/+10
* Add modular X dependencies.Donnie Berkholz2005-12-123-6/+18
* This revision has the TDHF code enabled, which should now work properly with ...Markus Dittrich2005-12-075-2/+278
* Bump. Remove faulty libf2c dep; Add modular X deps.Donnie Berkholz2005-12-066-2/+88
* New version. GCC-4 and 64-bit fixes, as well as new libmopac7.hDonnie Berkholz2005-12-065-9/+15
* Don't overwrite the actual .int file, copy into ._cfg* for etc-update.Donnie Berkholz2005-12-043-4/+7
* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-043-2/+40
* This new revision installs the rungms wrapper into /usr/bin to avoid that use...Markus Dittrich2005-12-046-2/+301
* Turn 2 patches into a single one with 4 lines of changes.Donnie Berkholz2005-12-046-174/+41
* Add a Web interface to a number of computational chemistry programs. Ones in ...Donnie Berkholz2005-12-049-0/+401
* Note that tinker script has hardcoded blackdown in it. This is needed because...Donnie Berkholz2005-12-033-4/+9
* (#35945) New molecular mechanics package. Heavily modified ebuild based on th...Donnie Berkholz2005-12-035-0/+156
* Bumped GAMESS to most recent version and changed ebuild naming to properly re...Markus Dittrich2005-12-036-27/+45
* (#53333) New molecular graphics package for visualizing and analyzing structu...Donnie Berkholz2005-12-036-0/+102
* Fix up modular X deps -- add libXp and libXi, remove libX11 and libXt as redu...Donnie Berkholz2005-12-023-6/+10
* New GUI front-end for computational chemistry.Donnie Berkholz2005-12-029-0/+161
* Moved to sci-libs.Donnie Berkholz2005-12-025-58/+0
* libghemical moved from sci-chemistry to sci-libs.Donnie Berkholz2005-12-023-12/+15
* New molecular graphics package. GLUT license is for files/glutbitmap.h.Donnie Berkholz2005-11-217-0/+181
* Reworked install process to avoid sandbox violations. This fixes bug #113056Markus Dittrich2005-11-203-10/+9
* Added italian metadata description. Bug #101730.Diego Elio Pettenò2005-11-201-0/+3
* New version with lots of bugfixesMarkus Dittrich2005-11-205-4/+125
* Improved wrapper scriptOlivier Fisette2005-11-156-2/+96
* Changed charm dependency to sys-cluster/charm since charm has moved from sci-...Markus Dittrich2005-11-104-6/+15
* marked gamess-05272005.ebuild as ~x86Markus Dittrich2005-11-082-2/+5
* Changed maintainter to markusle@gentoo.orgMarkus Dittrich2005-11-032-3/+3
* Remove depend on \!<app-text/ghostscript-7.07.1-r2 because we no longer have ...Stefan Schweizer2005-11-023-16/+9
* Initial importOlivier Fisette2005-10-205-0/+81
* New versionOlivier Fisette2005-10-204-13/+57
* New version. Removing obsolete version.Olivier Fisette2005-10-185-28/+41
* (#109184) Bump. Main change in ebuild is adding a check for fftw built w/ mpi...Donnie Berkholz2005-10-144-5/+88
* Japanese category metadata.xml translation. Thanks goes to Yoshino for the t...Chris White2005-10-091-0/+4
* Initial import (bug #108033)Olivier Fisette2005-10-059-0/+317
* trim whitespaceSven Wegener2005-09-202-7/+7
* Getting rid of gtk1 support (bug #106560)Patrick Kursawe2005-09-204-2/+79
* Initial import (fixes bug #105901).Olivier Fisette2005-09-2012-0/+452
* Improving KDE detection, bug #105955Patrick Kursawe2005-09-164-38/+25
* Ebuild clean-up. Removed useless installation log files.Olivier Fisette2005-08-314-17/+26
* Fixed email address in ChangeLog.Marcus D. Hanwell2005-08-272-6/+6
* Changed dependency from kdebase to kdelibs and kdesdk-misc (and corresponding...Olivier Fisette2005-08-203-5/+10