Get Gentoo!
gentoo.org sites
gentoo.org Wiki Bugs Forums Packages
Planet Archives Sources
Infra Status
summaryrefslogtreecommitdiff
path: root/sci-chemistry
Commit message (Collapse)AuthorAgeFilesLines
* (#136391) Move long description into metadata.Donnie Berkholz2006-06-171-30/+30
| | | | | (Portage version: 2.1.1_pre1) (Unsigned Manifest commit)
* (#136391) Move long description into metadata.Donnie Berkholz2006-06-176-9/+21
| | | | (Portage version: 2.1.1_pre1)
* (#75384) Add the dosformat USE flag, useful for mixed Linux/Windows ↵Donnie Berkholz2006-06-171-8/+8
| | | | | | | environments. (Portage version: 2.1.1_pre1) (Unsigned Manifest commit)
* (#75384) Add the dosformat USE flag, useful for mixed Linux/Windows ↵Donnie Berkholz2006-06-172-3/+14
| | | | | | environments. (Portage version: 2.1.1_pre1)
* Add the Crystallographic Object-Oriented Toolkit for model building, ↵Donnie Berkholz2006-06-161-8/+8
| | | | | | | completion and validation. (Portage version: 2.1.1_pre1) (Unsigned Manifest commit)
* Add the Crystallographic Object-Oriented Toolkit for model building, ↵Donnie Berkholz2006-06-165-0/+128
| | | | | | completion and validation. (Portage version: 2.1.1_pre1)
* Add CCP4, a popular protein X-ray crystallography toolkit. Relies on portage ↵Donnie Berkholz2006-06-161-8/+8
| | | | | | | auto-fixing RPATHs for now, because its build system consists of a bunch of stuff thrown together into the same tarball. (Portage version: 2.1.1_pre1) (Unsigned Manifest commit)
* Add CCP4, a popular protein X-ray crystallography toolkit. Relies on portage ↵Donnie Berkholz2006-06-1617-0/+834
| | | | | | auto-fixing RPATHs for now, because its build system consists of a bunch of stuff thrown together into the same tarball. (Portage version: 2.1.1_pre1)
* Drop acronym in description.Donnie Berkholz2006-06-151-9/+16
| | | | | (Portage version: 2.1) (Unsigned Manifest commit)
* Drop acronym in description.Donnie Berkholz2006-06-153-3/+9
| | | | (Portage version: 2.1)
* Add CNS, an important package in X-ray crystallography and nuclear magnetic ↵Donnie Berkholz2006-06-101-8/+8
| | | | | | | resonance (NMR). (Portage version: 2.1_rc4-r3) (Unsigned Manifest commit)
* Add CNS, an important package in X-ray crystallography and nuclear magnetic ↵Donnie Berkholz2006-06-106-0/+188
| | | | | | resonance (NMR). (Portage version: 2.1_rc4-r3)
* New program for X-ray crystallographic structure determination.Donnie Berkholz2006-06-051-8/+8
| | | | | (Portage version: 2.1_rc4-r1) (Unsigned Manifest commit)
* New program for X-ray crystallographic structure determination.Donnie Berkholz2006-06-056-0/+141
| | | | (Portage version: 2.1_rc4-r1)
* New package to add hydrogens to a Protein Data Bank (PDB) molecule structure ↵Donnie Berkholz2006-06-041-8/+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 Berkholz2006-06-046-0/+207
| | | | | | file. (Portage version: 2.1_rc3-r1)
* New program that evaluates atomic packing within or between molecules.Donnie Berkholz2006-06-041-8/+8
| | | | | (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit)
* New program that evaluates atomic packing within or between molecules.Donnie Berkholz2006-06-045-0/+77
| | | | (Portage version: 2.1_rc3-r1)
* New package for ab initio calculations using density functional theory. ↵Donnie Berkholz2006-06-041-8/+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 Berkholz2006-06-049-0/+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 Berkholz2006-06-031-3/+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 Berkholz2006-06-033-2/+82
| | | | | | Keyword ~ppc. (Portage version: 2.1_rc3-r1)
* Fix crackrock SRC_URI, reported by Brian Harring.Donnie Berkholz2006-05-311-8/+8
| | | | | (Portage version: 2.1_rc3-r1) (Unsigned Manifest commit)
* Fix crackrock SRC_URI, reported by Brian Harring.Donnie Berkholz2006-05-312-3/+6
| | | | (Portage version: 2.1_rc3-r1)
* Moved path variable declarations from the wrapper to an env.d fileOlivier Fisette2006-05-261-2/+2
| | | | | (Portage version: 2.0.54-r2) (Unsigned Manifest commit)
* Moved path variable declarations from the wrapper to an env.d fileOlivier Fisette2006-05-264-1/+91
| | | | (Portage version: 2.0.54-r2)
* Added patch to enable compilation with gcc-4.1.Markus Dittrich2006-05-231-13/+17
| | | | | (Portage version: 2.1_rc2) (Unsigned Manifest commit)
* Added patch to enable compilation with gcc-4.1.Markus Dittrich2006-05-233-4/+31
| | | | (Portage version: 2.1_rc2)
* Removed ifc use flag and replaced it with fortran.eclass logicMarkus Dittrich2006-05-231-22/+22
| | | | | (Portage version: 2.1_rc2) (Unsigned Manifest commit)
* Removed ifc use flag and replaced it with fortran.eclass logicMarkus Dittrich2006-05-232-26/+23
| | | | (Portage version: 2.1_rc2)
* Keyword ~ppc.Donnie Berkholz2006-05-211-8/+8
| | | | | (Portage version: 2.1_rc1-r2) (Unsigned Manifest commit)
* Keyword ~ppc.Donnie Berkholz2006-05-212-3/+6
| | | | (Portage version: 2.1_rc1-r2)
* (#114260) Bump. Supports openbabel-2.Donnie Berkholz2006-05-141-4/+12
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* (#114260) Bump. Supports openbabel-2.Donnie Berkholz2006-05-143-1/+44
| | | | (Portage version: 2.1_pre10-r5)
* Convert leading spaces to tabs.Donnie Berkholz2006-05-141-12/+12
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* Convert leading spaces to tabs.Donnie Berkholz2006-05-143-11/+15
| | | | (Portage version: 2.1_pre10-r5)
* Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems.Donnie Berkholz2006-05-141-12/+28
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* Keyword ~ppc. Also make sure to strip -malign-double on non-x86 systems.Donnie Berkholz2006-05-142-3/+12
| | | | (Portage version: 2.1_pre10-r5)
* Bump. This version does a much better job of finding stuff, and the pymol ↵Donnie Berkholz2006-05-141-2/+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 Berkholz2006-05-143-2/+64
| | | | | | plugin's a lot more capable. (Portage version: 2.1_pre10-r5)
* (#133254) New homepage.Donnie Berkholz2006-05-141-20/+20
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* (#133254) New homepage.Donnie Berkholz2006-05-145-11/+15
| | | | (Portage version: 2.1_pre10-r5)
* Pull old development versions.Donnie Berkholz2006-05-139-178/+4
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* Pull old development versions.Donnie Berkholz2006-05-131-1/+8
| | | | (Portage version: 2.1_pre10-r5)
* (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis.Donnie Berkholz2006-05-131-4/+12
| | | | | (Portage version: 2.1_pre10-r5) (Unsigned Manifest commit)
* (#132835) Bump to latest release. Ebuild based on work of Donald E. Curtis.Donnie Berkholz2006-05-133-1/+60
| | | | (Portage version: 2.1_pre10-r5)
* Always build shared libraries, so other programs can link against them ↵Donnie Berkholz2006-05-131-18/+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 Berkholz2006-05-133-1/+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 Berkholz2006-05-131-4/+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 Berkholz2006-05-134-2/+64
| | | | | | needed. Cleaner installation of executable and wrapper. (Portage version: 2.1_pre10-r5)