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Gentoo ebuild repository HISTORICAL read-only tree
Infrastructure team <infrastructure@gentoo.org>
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sci-chemistry
Commit message (
Expand
)
Author
Age
Files
Lines
*
Ported to modular X
Olivier Fisette
2006-02-05
3
-16
/
+11
*
Ported to modular X
Olivier Fisette
2006-02-05
3
-11
/
+15
*
Manifest fix.
Robin H. Johnson
2006-01-30
2
-4
/
+17
*
Dependency update: media-gfx/gnuplot -> sci-visualization/gnuplot.
Marcus D. Hanwell
2006-01-29
2
-5
/
+9
*
Don't force upgrade for fixed modular X deps
Patrick Kursawe
2006-01-25
5
-43
/
+10
*
Fixed improper digest. This resolves bug #119994.
Markus Dittrich
2006-01-23
3
-4
/
+8
*
Bump to latest revision 27 JUN 2005 (R5).
Markus Dittrich
2006-01-20
4
-15
/
+247
*
Porting to modular X
Patrick Kursawe
2006-01-20
4
-14
/
+44
*
Stable on x86 for bug #119378
Joshua Jackson
2006-01-20
3
-5
/
+18
*
Fix dependencies for modular X.
Donnie Berkholz
2006-01-18
3
-9
/
+15
*
Fix dependencies for modular X.
Donnie Berkholz
2006-01-18
3
-8
/
+12
*
Parallel build sporadically dies.
Donnie Berkholz
2006-01-18
3
-13
/
+16
*
Fix for modular X.
Donnie Berkholz
2006-01-18
3
-12
/
+10
*
Fix SRC_URI.
Donnie Berkholz
2006-01-18
3
-8
/
+11
*
whitespace
Michael Sterrett
2006-01-09
2
-6
/
+6
*
Manual Manifest commit.
Sven Wegener
2005-12-24
1
-1
/
+10
*
removed from package.mask and marked ~x86. Added app-shells/tcsh as alternati...
Markus Dittrich
2005-12-22
3
-8
/
+14
*
An application for processing and curation of macromolecular structure data.
Donnie Berkholz
2005-12-20
8
-0
/
+419
*
Add a fixed version; works with other RCSB apps and libraries.
Donnie Berkholz
2005-12-20
9
-356
/
+394
*
Extract lots of information from Protein Data Bank files.
Donnie Berkholz
2005-12-20
7
-4
/
+298
*
New package providing rapid, accurate and fully automated calculation of path...
Donnie Berkholz
2005-12-20
5
-0
/
+76
*
virtual/glut, not media-libs/glut.
Donnie Berkholz
2005-12-19
3
-11
/
+14
*
Remove commented-out sections.
Donnie Berkholz
2005-12-19
3
-15
/
+8
*
Add a set of tools used by the PDB for processing and checking structure data.
Donnie Berkholz
2005-12-19
6
-0
/
+391
*
Prefer RESTRICT=mirror over nomirror, as portage code does.
Donnie Berkholz
2005-12-18
3
-5
/
+8
*
We can't mirror this.
Donnie Berkholz
2005-12-18
3
-4
/
+8
*
A new graphical NMR assignment and integration program for proteins, nucleic ...
Donnie Berkholz
2005-12-18
6
-0
/
+371
*
New electrostatic potential package: Macroscopic Electrostatics with Atomic D...
Donnie Berkholz
2005-12-17
6
-0
/
+128
*
A crystallographic real-space electron-density refinement and optimization pr...
Donnie Berkholz
2005-12-16
6
-0
/
+134
*
Thermal ellipsoid plot program for crystal structure illustrations.
Donnie Berkholz
2005-12-16
4
-0
/
+52
*
Another crystallography package. This one considers itself a versatile, SHELX...
Donnie Berkholz
2005-12-16
6
-0
/
+83
*
Fix SRC_URI.
Donnie Berkholz
2005-12-15
3
-6
/
+9
*
Fix license. The author informed me by email that it's intended to be freely ...
Donnie Berkholz
2005-12-15
3
-5
/
+9
*
MAID does automatic fitting of protein X-ray crystallography electron density...
Donnie Berkholz
2005-12-15
7
-0
/
+1080
*
Update rasmol script to fall back to xdpyinfo if xwininfo isn't available. De...
Donnie Berkholz
2005-12-15
5
-5
/
+91
*
(#115649) Add rman to modular X deps.
Donnie Berkholz
2005-12-15
3
-4
/
+9
*
Add modular X dependencies.
Donnie Berkholz
2005-12-15
3
-6
/
+21
*
marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.org
Markus Dittrich
2005-12-13
3
-3
/
+10
*
Add modular X dependencies.
Donnie Berkholz
2005-12-12
3
-6
/
+18
*
This revision has the TDHF code enabled, which should now work properly with ...
Markus Dittrich
2005-12-07
5
-2
/
+278
*
Bump. Remove faulty libf2c dep; Add modular X deps.
Donnie Berkholz
2005-12-06
6
-2
/
+88
*
New version. GCC-4 and 64-bit fixes, as well as new libmopac7.h
Donnie Berkholz
2005-12-06
5
-9
/
+15
*
Don't overwrite the actual .int file, copy into ._cfg* for etc-update.
Donnie Berkholz
2005-12-04
3
-4
/
+7
*
Add hook script, to be run when installing to live host.
Donnie Berkholz
2005-12-04
3
-2
/
+40
*
This new revision installs the rungms wrapper into /usr/bin to avoid that use...
Markus Dittrich
2005-12-04
6
-2
/
+301
*
Turn 2 patches into a single one with 4 lines of changes.
Donnie Berkholz
2005-12-04
6
-174
/
+41
*
Add a Web interface to a number of computational chemistry programs. Ones in ...
Donnie Berkholz
2005-12-04
9
-0
/
+401
*
Note that tinker script has hardcoded blackdown in it. This is needed because...
Donnie Berkholz
2005-12-03
3
-4
/
+9
*
(#35945) New molecular mechanics package. Heavily modified ebuild based on th...
Donnie Berkholz
2005-12-03
5
-0
/
+156
*
Bumped GAMESS to most recent version and changed ebuild naming to properly re...
Markus Dittrich
2005-12-03
6
-27
/
+45
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