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* Initial import.Markus Dittrich2006-02-106-0/+251
| | | | Package-Manager: portage-2.1_pre4-r1
* Made ebuild ready to compile and run properly using gfortran.Markus Dittrich2006-02-084-16/+83
| | | | Package-Manager: portage-2.1_pre4-r1
* Mark 4.3 stable on alphaAron Griffis2006-02-083-8/+33
| | | | Package-Manager: portage-2.1_pre4-r1
* Ported to modular XOlivier Fisette2006-02-053-16/+11
| | | | Package-Manager: portage-2.0.54
* Ported to modular XOlivier Fisette2006-02-053-11/+15
| | | | Package-Manager: portage-2.0.54
* Manifest fix.Robin H. Johnson2006-01-302-4/+17
| | | | Package-Manager: portage-2.1_pre4-r1
* Dependency update: media-gfx/gnuplot -> sci-visualization/gnuplot.Marcus D. Hanwell2006-01-292-5/+9
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* Don't force upgrade for fixed modular X depsPatrick Kursawe2006-01-255-43/+10
| | | | Package-Manager: portage-2.0.53
* Fixed improper digest. This resolves bug #119994.Markus Dittrich2006-01-233-4/+8
| | | | Package-Manager: portage-2.1_pre3-r1
* Bump to latest revision 27 JUN 2005 (R5).Markus Dittrich2006-01-204-15/+247
| | | | Package-Manager: portage-2.1_pre3-r1
* Porting to modular XPatrick Kursawe2006-01-204-14/+44
| | | | Package-Manager: portage-2.0.53
* Stable on x86 for bug #119378Joshua Jackson2006-01-203-5/+18
| | | | Package-Manager: portage-2.1_pre3-r1
* Fix dependencies for modular X.Donnie Berkholz2006-01-183-9/+15
| | | | Package-Manager: portage-2.1_pre3-r1
* Fix dependencies for modular X.Donnie Berkholz2006-01-183-8/+12
| | | | Package-Manager: portage-2.1_pre3-r1
* Parallel build sporadically dies.Donnie Berkholz2006-01-183-13/+16
| | | | Package-Manager: portage-2.1_pre3-r1
* Fix for modular X.Donnie Berkholz2006-01-183-12/+10
| | | | Package-Manager: portage-2.1_pre3-r1
* Fix SRC_URI.Donnie Berkholz2006-01-183-8/+11
| | | | Package-Manager: portage-2.1_pre3-r1
* whitespaceMichael Sterrett2006-01-092-6/+6
| | | | Package-Manager: portage-2.0.53
* Manual Manifest commit.Sven Wegener2005-12-241-1/+10
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* removed from package.mask and marked ~x86. Added app-shells/tcsh as ↵Markus Dittrich2005-12-223-8/+14
| | | | | | alternative to app-shells/csh in DEPEND. Package-Manager: portage-2.1_pre1
* An application for processing and curation of macromolecular structure data.Donnie Berkholz2005-12-208-0/+419
| | | | Package-Manager: portage-2.1_pre1
* Add a fixed version; works with other RCSB apps and libraries.Donnie Berkholz2005-12-209-356/+394
| | | | Package-Manager: portage-2.1_pre1
* Extract lots of information from Protein Data Bank files.Donnie Berkholz2005-12-207-4/+298
| | | | Package-Manager: portage-2.1_pre1
* New package providing rapid, accurate and fully automated calculation of ↵Donnie Berkholz2005-12-205-0/+76
| | | | | | pathways leading from buried cavities to outside solvent in static and dynamic protein structures. Also has a neat PyMol plugin. Package-Manager: portage-2.1_pre1
* virtual/glut, not media-libs/glut.Donnie Berkholz2005-12-193-11/+14
| | | | Package-Manager: portage-2.1_pre1
* Remove commented-out sections.Donnie Berkholz2005-12-193-15/+8
| | | | Package-Manager: portage-2.0.53
* Add a set of tools used by the PDB for processing and checking structure data.Donnie Berkholz2005-12-196-0/+391
| | | | Package-Manager: portage-2.0.53
* Prefer RESTRICT=mirror over nomirror, as portage code does.Donnie Berkholz2005-12-183-5/+8
| | | | Package-Manager: portage-2.0.53
* We can't mirror this.Donnie Berkholz2005-12-183-4/+8
| | | | Package-Manager: portage-2.0.53
* A new graphical NMR assignment and integration program for proteins, nucleic ↵Donnie Berkholz2005-12-186-0/+371
| | | | | | acids, and other polymers. Very strange build system; takes lots of hacking and tweaking to get working. Doesn't work with python-2.4, only 2.3. Package-Manager: portage-2.0.53
* New electrostatic potential package: Macroscopic Electrostatics with Atomic ↵Donnie Berkholz2005-12-176-0/+128
| | | | | | Detail. Package-Manager: portage-2.0.53
* A crystallographic real-space electron-density refinement and optimization ↵Donnie Berkholz2005-12-166-0/+134
| | | | | | program. Package-Manager: portage-2.0.53
* Thermal ellipsoid plot program for crystal structure illustrations.Donnie Berkholz2005-12-164-0/+52
| | | | Package-Manager: portage-2.0.53
* Another crystallography package. This one considers itself a versatile, ↵Donnie Berkholz2005-12-166-0/+83
| | | | | | SHELX-97 compatible, multipurpose tool. Package-Manager: portage-2.0.53
* Fix SRC_URI.Donnie Berkholz2005-12-153-6/+9
| | | | Package-Manager: portage-2.0.53
* Fix license. The author informed me by email that it's intended to be freely ↵Donnie Berkholz2005-12-153-5/+9
| | | | | | distributed, modified and redistributed. Package-Manager: portage-2.0.53
* MAID does automatic fitting of protein X-ray crystallography electron ↵Donnie Berkholz2005-12-157-0/+1080
| | | | | | density maps. It can correctly build about 60% of alpha carbons on medium-resolution maps and about 80% on high-resolution maps. Package-Manager: portage-2.0.53
* Update rasmol script to fall back to xdpyinfo if xwininfo isn't available. ↵Donnie Berkholz2005-12-155-5/+91
| | | | | | Depend on one of the two. Package-Manager: portage-2.0.53
* (#115649) Add rman to modular X deps.Donnie Berkholz2005-12-153-4/+9
| | | | Package-Manager: portage-2.0.53
* Add modular X dependencies.Donnie Berkholz2005-12-153-6/+21
| | | | Package-Manager: portage-2.0.53
* marked apbs-0.3.2.ebuild as ~x86; changed maintainer to markusle@gentoo.orgMarkus Dittrich2005-12-133-3/+10
| | | | Package-Manager: portage-2.0.51.22-r3
* Add modular X dependencies.Donnie Berkholz2005-12-123-6/+18
| | | | Package-Manager: portage-2.0.53
* This revision has the TDHF code enabled, which should now work properly with ↵Markus Dittrich2005-12-075-2/+278
| | | | | | the patched g77 (see bug #114367). Package-Manager: portage-2.0.51.22-r3
* Bump. Remove faulty libf2c dep; Add modular X deps.Donnie Berkholz2005-12-066-2/+88
| | | | Package-Manager: portage-2.0.53
* New version. GCC-4 and 64-bit fixes, as well as new libmopac7.hDonnie Berkholz2005-12-065-9/+15
| | | | Package-Manager: portage-2.0.53
* Don't overwrite the actual .int file, copy into ._cfg* for etc-update.Donnie Berkholz2005-12-043-4/+7
| | | | Package-Manager: portage-2.0.53
* Add hook script, to be run when installing to live host.Donnie Berkholz2005-12-043-2/+40
| | | | Package-Manager: portage-2.0.53
* This new revision installs the rungms wrapper into /usr/bin to avoid that ↵Markus Dittrich2005-12-046-2/+301
| | | | | | users have to copy it manually and to play well with WebMO. Package-Manager: portage-2.0.51.22-r3
* Turn 2 patches into a single one with 4 lines of changes.Donnie Berkholz2005-12-046-174/+41
| | | | Package-Manager: portage-2.0.53
* Add a Web interface to a number of computational chemistry programs. Ones in ↵Donnie Berkholz2005-12-049-0/+401
| | | | | | portage include mopac7, gamess and tinker. Also works for Gaussian, NWChem, QChem, Molpro, etc. What needs work: reinstallations without screwing the old configuration, and the reconfig script so editing globals.int isn't required. Package-Manager: portage-2.0.53