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* Drop acronym in description.Donnie Berkholz2006-06-154-12/+25
| | | | Package-Manager: portage-2.1
* Add CNS, an important package in X-ray crystallography and nuclear magnetic ↵Donnie Berkholz2006-06-106-0/+188
| | | | | | resonance (NMR). Package-Manager: portage-2.1_rc4-r3
* New program for X-ray crystallographic structure determination.Donnie Berkholz2006-06-056-0/+141
| | | | Package-Manager: portage-2.1_rc4-r1
* New package to add hydrogens to a Protein Data Bank (PDB) molecule structure ↵Donnie Berkholz2006-06-045-0/+186
| | | | | | file. Package-Manager: portage-2.1_rc3-r1
* New program that evaluates atomic packing within or between molecules.Donnie Berkholz2006-06-046-0/+98
| | | | Package-Manager: portage-2.1_rc3-r1
* New package for ab initio calculations using density functional theory. ↵Donnie Berkholz2006-06-049-0/+241
| | | | | | Requires gcc 4.1 to build, which is why I haven't added it until now. Package-Manager: portage-2.1_rc3-r1
* Bump to latest. Fix for gcc4 by linking against libf2c in the non-gcc3 case. ↵Donnie Berkholz2006-06-034-5/+105
| | | | | | Keyword ~ppc. Package-Manager: portage-2.1_rc3-r1
* Fix crackrock SRC_URI, reported by Brian Harring.Donnie Berkholz2006-05-313-11/+14
| | | | Package-Manager: portage-2.1_rc3-r1
* Moved path variable declarations from the wrapper to an env.d fileOlivier Fisette2006-05-264-2/+92
| | | | Package-Manager: portage-2.0.54-r2
* Added patch to enable compilation with gcc-4.1.Markus Dittrich2006-05-234-17/+48
| | | | Package-Manager: portage-2.1_rc2
* Removed ifc use flag and replaced it with fortran.eclass logicMarkus Dittrich2006-05-233-48/+45
| | | | Package-Manager: portage-2.1_rc2
* Keyword ~ppc.Donnie Berkholz2006-05-213-11/+14
| | | | Package-Manager: portage-2.1_rc1-r2
* (#114260) Bump. Supports openbabel-2.Donnie Berkholz2006-05-144-5/+56
| | | | Package-Manager: portage-2.1_pre10-r5
* Convert leading spaces to tabs.Donnie Berkholz2006-05-144-23/+27
| | | | Package-Manager: portage-2.1_pre10-r5
* Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems.Donnie Berkholz2006-05-143-15/+40
| | | | Package-Manager: portage-2.1_pre10-r5
* Bump. This version does a much better job of finding stuff, and the pymol ↵Donnie Berkholz2006-05-144-4/+88
| | | | | | plugin's a lot more capable. Package-Manager: portage-2.1_pre10-r5
* (#133254) New homepage.Donnie Berkholz2006-05-146-31/+35
| | | | Package-Manager: portage-2.1_pre10-r5
* Pull old development versions.Donnie Berkholz2006-05-139-178/+4
| | | | Package-Manager: portage-2.1_pre10-r5
* Pull old development versions.Donnie Berkholz2006-05-131-1/+8
| | | | Package-Manager: portage-2.1_pre10-r5
* (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis.Donnie Berkholz2006-05-133-1/+60
| | | | Package-Manager: portage-2.1_pre10-r5
* Always build shared libraries, so other programs can link against them ↵Donnie Berkholz2006-05-135-23/+164
| | | | | | without mixing PIC and non-PIC code. That breaks architectures including ppc, ppc64, amd64. Do some general ebuild cleanup, and add an RDEPEND so not all the build-time tools are required at runtime. Package-Manager: portage-2.1_pre10-r5
* Fix parallel build. Remove the really ugly LDFLAGS hack, it's no longer ↵Donnie Berkholz2006-05-134-2/+64
| | | | | | needed. Cleaner installation of executable and wrapper. Package-Manager: portage-2.1_pre10-r5
* Bump. Many of the changes are internal, to help adding new translators etc. ↵Donnie Berkholz2006-05-134-6/+62
| | | | | | Also adds support for Perl and Python scripting, better batch conversion, support for reading gzipped files and support for InChI identifiers. Package-Manager: portage-2.1_pre10-r5
* Update openbabel dep for adding openbabel-2 to the tree.Donnie Berkholz2006-05-132-12/+96
| | | | Package-Manager: portage-2.1_pre10-r5
* Update openbabel dep for adding openbabel-2 to the tree.Donnie Berkholz2006-05-138-30/+48
| | | | Package-Manager: portage-2.1_pre10-r5
* Removed alpha version. Require PyMOL version under 0.99.Olivier Fisette2006-05-105-28/+9
| | | | Package-Manager: portage-2203-svn
* Stable on ppc64; bug #89969Markus Rothe2006-05-073-7/+10
| | | | Package-Manager: portage-2203-svn
* Fix SHA256 digests.Marien Zwart2006-04-292-13/+35
| | | | Package-Manager: portage-2.1_pre9-r5
* Fixing SHA256 digest, pass fourAlec Warner2006-04-272-26/+40
| | | | Package-Manager: portage-2.1_pre9-r4
* Fixing SHA256 digest, pass fourAlec Warner2006-04-274-2/+14
| | | | Package-Manager: portage-2.1_pre9-r4
* Keyword ~ppc.Donnie Berkholz2006-04-263-13/+16
| | | | Package-Manager: portage-2.1_pre9-r4
* Keyword ~ppc.Donnie Berkholz2006-04-242-18/+42
| | | | Package-Manager: portage-2.1_pre9-r3
* Keyword ~ppc.Donnie Berkholz2006-04-244-5/+14
| | | | Package-Manager: portage-2.1_pre9-r3
* Version bump.Markus Dittrich2006-04-186-4/+298
| | | | Package-Manager: portage-2.1_pre7-r5
* Removed unnecessary parts which installed files into /. This fixes bug #130238.Markus Dittrich2006-04-174-4/+76
| | | | Package-Manager: portage-2.1_pre7-r5
* Fixed incorrect Changelog to include the added ebuild info.Markus Dittrich2006-04-132-5/+6
| | | | Package-Manager: portage-2.1_pre7-r5
* Remove amd64 keywordPatrick McLean2006-04-133-7/+20
| | | | Package-Manager: portage-2.1_pre7-r4
* Applied patch to fix compile problems using gcc-4.1. This fixes bug #125190.Markus Dittrich2006-04-124-8/+84
| | | | Package-Manager: portage-2.1_pre7-r5
* Version bump. This fixes bug #129535.Markus Dittrich2006-04-115-9/+128
| | | | Package-Manager: portage-2.1_pre7-r5
* Added missing x11-misc/imake to DEPEND. This fixes bug #128747. Also moved ↵Markus Dittrich2006-04-115-20/+53
| | | | | | raster3d-2.6e to modular X. Package-Manager: portage-2.1_pre7-r5
* Pull old versions, everyone's stabilized on 4.3.Donnie Berkholz2006-04-088-233/+8
| | | | Package-Manager: portage-2.1_pre7-r4
* Version bump. This fixes bug #128651.Markus Dittrich2006-04-084-2/+91
| | | | Package-Manager: portage-2.1_pre7-r4
* stable amd64Simon Stelling2006-04-083-5/+30
| | | | Package-Manager: portage-2.1_pre7-r4
* New versionOlivier Fisette2006-04-064-5/+35
| | | | Package-Manager: portage-2.0.54
* Removed old versions with gtk2 USE flag (see bug #106560)Olivier Fisette2006-04-0210-335/+6
| | | | Package-Manager: portage-2.0.54
* Added patch to fix missing CLK_TCK with glibc-2.4.Markus Dittrich2006-03-284-8/+60
| | | | Package-Manager: portage-2.1_pre7-r1
* Version bump and changed the ebuild naming convention to start with the ↵Markus Dittrich2006-03-2313-589/+208
| | | | | | year since otherwise portage can't properly keep track of updates. Also removed obsolete ebuilds/patches. Package-Manager: portage-2.1_pre6-r5
* Small fix in Changelog.Markus Dittrich2006-03-212-5/+5
| | | | Package-Manager: portage-2.1_pre6-r4
* Initial import (fixes bug #124791).Markus Dittrich2006-03-217-0/+122
| | | | Package-Manager: portage-2.1_pre6-r4
* Keyword ~ppc, and make changes to the wrapper script that may also fix amd64 ↵Donnie Berkholz2006-03-213-9/+17
| | | | | | and alpha. Package-Manager: portage-2.1_pre6-r3