| Commit message (Collapse) | Author | Age | Files | Lines | |
|---|---|---|---|---|---|
| * | New package to add hydrogens to a Protein Data Bank (PDB) molecule structure ↵ |   Donnie Berkholz | 2006-06-04 | 1 | -8/+8 |
| | | | | | | | | file. (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit) | ||||
| * | New package to add hydrogens to a Protein Data Bank (PDB) molecule structure ↵ | Donnie Berkholz | 2006-06-04 | 6 | -0/+207 |
| | | | | | | | file. (Portage version: 2.1_rc3-r1) | ||||
| * | New program that evaluates atomic packing within or between molecules. | Donnie Berkholz | 2006-06-04 | 1 | -8/+8 |
| | | | | | | (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit) | ||||
| * | New program that evaluates atomic packing within or between molecules. | Donnie Berkholz | 2006-06-04 | 5 | -0/+77 |
| | | | | | (Portage version: 2.1_rc3-r1) | ||||
| * | New package for ab initio calculations using density functional theory. ↵ | Donnie Berkholz | 2006-06-04 | 1 | -8/+8 |
| | | | | | | | | Requires gcc 4.1 to build, which is why I haven't added it until now. (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit) | ||||
| * | New package for ab initio calculations using density functional theory. ↵ | Donnie Berkholz | 2006-06-04 | 9 | -0/+241 |
| | | | | | | | Requires gcc 4.1 to build, which is why I haven't added it until now. (Portage version: 2.1_rc3-r1) | ||||
| * | Bump to latest. Fix for gcc4 by linking against libf2c in the non-gcc3 case. ↵ | Donnie Berkholz | 2006-06-03 | 1 | -3/+23 |
| | | | | | | | | Keyword ~ppc. (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit) | ||||
| * | Bump to latest. Fix for gcc4 by linking against libf2c in the non-gcc3 case. ↵ | Donnie Berkholz | 2006-06-03 | 3 | -2/+82 |
| | | | | | | | Keyword ~ppc. (Portage version: 2.1_rc3-r1) | ||||
| * | Fix crackrock SRC_URI, reported by Brian Harring. | Donnie Berkholz | 2006-05-31 | 1 | -8/+8 |
| | | | | | | (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit) | ||||
| * | Fix crackrock SRC_URI, reported by Brian Harring. | Donnie Berkholz | 2006-05-31 | 2 | -3/+6 |
| | | | | | (Portage version: 2.1_rc3-r1) | ||||
| * | Moved path variable declarations from the wrapper to an env.d file |   Olivier Fisette | 2006-05-26 | 1 | -2/+2 |
| | | | | | | (Portage version: 2.0.54-r2) (Unsigned Manifest commit) | ||||
| * | Moved path variable declarations from the wrapper to an env.d file | Olivier Fisette | 2006-05-26 | 4 | -1/+91 |
| | | | | | (Portage version: 2.0.54-r2) | ||||
| * | Added patch to enable compilation with gcc-4.1. |   Markus Dittrich | 2006-05-23 | 1 | -13/+17 |
| | | | | | | (Portage version: 2.1_rc2) (Unsigned Manifest commit) | ||||
| * | Added patch to enable compilation with gcc-4.1. | Markus Dittrich | 2006-05-23 | 3 | -4/+31 |
| | | | | | (Portage version: 2.1_rc2) | ||||
| * | Removed ifc use flag and replaced it with fortran.eclass logic | Markus Dittrich | 2006-05-23 | 1 | -22/+22 |
| | | | | | | (Portage version: 2.1_rc2) (Unsigned Manifest commit) | ||||
| * | Removed ifc use flag and replaced it with fortran.eclass logic | Markus Dittrich | 2006-05-23 | 2 | -26/+23 |
| | | | | | (Portage version: 2.1_rc2) | ||||
| * | Keyword ~ppc. | Donnie Berkholz | 2006-05-21 | 1 | -8/+8 |
| | | | | | | (Portage version: 2.1_rc1-r2) (Unsigned Manifest commit) | ||||
| * | Keyword ~ppc. | Donnie Berkholz | 2006-05-21 | 2 | -3/+6 |
| | | | | | (Portage version: 2.1_rc1-r2) | ||||
| * | (#114260) Bump. Supports openbabel-2. | Donnie Berkholz | 2006-05-14 | 1 | -4/+12 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | (#114260) Bump. Supports openbabel-2. | Donnie Berkholz | 2006-05-14 | 3 | -1/+44 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Convert leading spaces to tabs. | Donnie Berkholz | 2006-05-14 | 1 | -12/+12 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Convert leading spaces to tabs. | Donnie Berkholz | 2006-05-14 | 3 | -11/+15 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems. | Donnie Berkholz | 2006-05-14 | 1 | -12/+28 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems. | Donnie Berkholz | 2006-05-14 | 2 | -3/+12 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Bump. This version does a much better job of finding stuff, and the pymol ↵ | Donnie Berkholz | 2006-05-14 | 1 | -2/+24 |
| | | | | | | | | plugin's a lot more capable. (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Bump. This version does a much better job of finding stuff, and the pymol ↵ | Donnie Berkholz | 2006-05-14 | 3 | -2/+64 |
| | | | | | | | plugin's a lot more capable. (Portage version: 2.1_pre10-r5) | ||||
| * | (#133254) New homepage. | Donnie Berkholz | 2006-05-14 | 1 | -20/+20 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | (#133254) New homepage. | Donnie Berkholz | 2006-05-14 | 5 | -11/+15 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Pull old development versions. | Donnie Berkholz | 2006-05-13 | 9 | -178/+4 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Pull old development versions. | Donnie Berkholz | 2006-05-13 | 1 | -1/+8 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis. | Donnie Berkholz | 2006-05-13 | 1 | -4/+12 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis. | Donnie Berkholz | 2006-05-13 | 3 | -1/+60 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Always build shared libraries, so other programs can link against them ↵ | Donnie Berkholz | 2006-05-13 | 1 | -18/+37 |
| | | | | | | | | 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. (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Always build shared libraries, so other programs can link against them ↵ | Donnie Berkholz | 2006-05-13 | 3 | -1/+115 |
| | | | | | | | 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. (Portage version: 2.1_pre10-r5) | ||||
| * | Fix parallel build. Remove the really ugly LDFLAGS hack, it's no longer ↵ | Donnie Berkholz | 2006-05-13 | 1 | -4/+29 |
| | | | | | | | | needed. Cleaner installation of executable and wrapper. (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Fix parallel build. Remove the really ugly LDFLAGS hack, it's no longer ↵ | Donnie Berkholz | 2006-05-13 | 4 | -2/+64 |
| | | | | | | | needed. Cleaner installation of executable and wrapper. (Portage version: 2.1_pre10-r5) | ||||
| * | Bump. Many of the changes are internal, to help adding new translators etc. ↵ | Donnie Berkholz | 2006-05-13 | 1 | -11/+21 |
| | | | | | | | | Also adds support for Perl and Python scripting, better batch conversion, support for reading gzipped files and support for InChI identifiers. (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Bump. Many of the changes are internal, to help adding new translators etc. ↵ | Donnie Berkholz | 2006-05-13 | 3 | -2/+33 |
| | | | | | | | Also adds support for Perl and Python scripting, better batch conversion, support for reading gzipped files and support for InChI identifiers. (Portage version: 2.1_pre10-r5) | ||||
| * | Update openbabel dep for adding openbabel-2 to the tree. | Donnie Berkholz | 2006-05-13 | 1 | -5/+35 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Update openbabel dep for adding openbabel-2 to the tree. | Donnie Berkholz | 2006-05-13 | 5 | -14/+19 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Update openbabel dep for adding openbabel-2 to the tree. | Donnie Berkholz | 2006-05-13 | 1 | -7/+61 |
| | | | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit) | ||||
| * | Update openbabel dep for adding openbabel-2 to the tree. | Donnie Berkholz | 2006-05-13 | 2 | -5/+8 |
| | | | | | (Portage version: 2.1_pre10-r5) | ||||
| * | Removed alpha version. Require PyMOL version under 0.99. | Olivier Fisette | 2006-05-10 | 1 | -4/+2 |
| | | | | | | (Portage version: 2203-svn) (Unsigned Manifest commit) | ||||
| * | Removed alpha version. Require PyMOL version under 0.99. | Olivier Fisette | 2006-05-10 | 4 | -24/+7 |
| | | | | | (Portage version: 2203-svn) | ||||
| * | Stable on ppc64; bug #89969 |   Markus Rothe | 2006-05-07 | 1 | -2/+2 |
| | | | | | | (Portage version: 2203-svn) (Unsigned Manifest commit) | ||||
| * | Stable on ppc64; bug #89969 | Markus Rothe | 2006-05-07 | 2 | -5/+8 |
| | | | | | (Portage version: 2203-svn) | ||||
| * | Fix SHA256 digests. |   Marien Zwart | 2006-04-29 | 1 | -12/+31 |
| | | | | | | (Portage version: 2.1_pre9-r5) (Signed Manifest commit) | ||||
| * | Fix SHA256 digests. | Marien Zwart | 2006-04-29 | 1 | -1/+4 |
| | | | | | (Portage version: 2.1_pre9-r5) | ||||
| * | Fixing SHA256 digest, pass four |   Alec Warner | 2006-04-27 | 1 | -13/+20 |
| | | | | | | (Portage version: 2.1_pre9-r4) (Unsigned Manifest commit) | ||||
| * | Fixing SHA256 digest, pass four | Alec Warner | 2006-04-27 | 2 | -1/+7 |
| | | | | | (Portage version: 2.1_pre9-r4) | ||||
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