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* sci-chemistry/coot: Clean for latest HEADJustin Lecher2013-09-192-7/+4
| | | | Package-Manager: portage-2.2.6
* sci-chemistry/freeon-1.0.2: Version bumpNicolas Bock2013-09-183-0/+32
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/freeon-1.0.1: Version bump.Nicolas Bock2013-09-183-0/+32
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/freeon-1.0 Updated manifest for tar file.Nicolas Bock2013-09-171-1/+1
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/freeon-1.0 Version bump.Nicolas Bock2013-09-174-21/+42
| | | | | | | | | | | The versioning scheme changed from a date based version to a more common versioning scheme. Portage considers the latest release, 1.0, to be a downgrade. I masked the older versions to every so gently suggest an upgrade. The live version's URI is fixed now, the code moved from savannah to github, and it is slotted to "live" so that both live and release versions can be installed simulataneously. Package-Manager: portage-2.2.1
* sci-chemistry/freeon-2013.09.16: Removed dependency on sys-libs/zlib. ThisNicolas Bock2013-09-162-1/+4
| | | | | | dependency should come in through hdf5. Package-Manager: portage-2.2.1
* sci-chemistry/freeon-2013.09.16: Version bump.Nicolas Bock2013-09-163-0/+38
| | | | Package-Manager: portage-2.2.1
* Merge pull request #108 from ustcscgy/patch-1Sébastien Fabbro2013-09-151-8/+7
|\ | | | | fix ball-9999.ebuild upstream git uri and qt dependencies
| * fix ball-9999.ebuild upstream git uri and qt dependenciesustcscgy2013-09-151-8/+7
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* | sci-chemistry/freeon-2013.09.12: Updated md5 checksum on tar dist.Nicolas Bock2013-09-151-1/+1
| | | | | | | | Package-Manager: portage-2.2.1
* | sci-chemistry/freeon-2013.09.12 Changed versioning of package to avoid maskNicolas Bock2013-09-153-3/+12
|/ | | | | | collision with the live package. Package-Manager: portage-2.2.1
* sci-chemistry/freeon-20130912: Added new version.Nicolas Bock2013-09-143-0/+44
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/namd-2.9: Version bump; ported patches from namd-2.7_beta2-r1 ↵Nicolas Bock2013-09-146-0/+297
| | | | | | and bumped EAPI to 5. Package-Manager: portage-2.2.1
* sci-chemistry/coot: Install missing syminfo, #482734Justin Lecher2013-08-282-0/+9
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/coot: Fix pc patchJustin Lecher2013-08-272-23/+31
| | | | Package-Manager: portage-2.2.1
* sci-chemistry/chimera-bin: Version and EAPI BUmpJustin Lecher2013-08-165-6/+108
| | | | Package-Manager: portage-2.2.0
* sci-chemistry/phenix-bin: Move jpeg to virtualJustin Lecher2013-08-132-2/+5
| | | | Package-Manager: portage-2.2.0
* sci-chemistry/unio: Fix upstreams silent version bumpJustin Lecher2013-08-136-146/+69
| | | | | Package-Manager: portage-2.2.0 RepoMan-Options: --force
* sci-chemistry/nmrpipe: Version BumpJustin Lecher2013-08-124-4/+10
| | | | | Package-Manager: portage-2.2.0_alpha195 RepoMan-Options: --force
* sci-chemistry/chemBuild: Version BumpJustin Lecher2013-08-123-0/+63
| | | | Package-Manager: portage-2.2.0_alpha191
* sci-chemistry/specView: Version BUmpJustin Lecher2013-08-123-0/+94
| | | | Package-Manager: portage-2.2.0_alpha191
* sci-chemistry/gnome-chemistry-utils: Add missing dep on ↵Justin Lecher2013-08-112-0/+5
| | | | | | app-text/gnome-doc-utils, #479536 Package-Manager: portage-2.2.0_alpha196
* newer version in treeJustin Lecher2013-08-099-639/+0
| | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* added newest versionChristoph Junghans2013-08-023-0/+47
| | | | Package-Manager: portage-2.2.0_alpha191
* initial commitChristoph Junghans2013-08-014-0/+54
| | | | Package-Manager: portage-2.2.0_alpha191
* sci-chemistry/panav: New addition written by meJustin Lecher2013-07-304-0/+75
| | | | Package-Manager: portage-2.2.0_alpha190
* sci-chemistry/pymol: Fx stupid argparse importJustin Lecher2013-07-242-0/+4
| | | | Package-Manager: portage-2.2.0_alpha188
* sci-chemistry/nwchem updated to 6.3-r1, python makefile patch cosmetically ↵Honza Macháček2013-07-236-93/+34
| | | | | | improved, the python support linked properly to python2. Package-Manager: portage-2.1.12.13
* sci-chemistry/coot: Don't use relative pathJustin Lecher2013-07-222-1/+4
| | | | Package-Manager: portage-2.2.0_alpha188
* Last prefix bitJustin Lecher2013-07-202-1/+4
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* Last prefix bitJustin Lecher2013-07-191-0/+3
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* sci-chemistry/specView: Prefix loveJustin Lecher2013-07-192-8/+11
| | | | Package-Manager: portage-2.2.0_alpha188
* sci-chemistry/gnome-chemistry-utils: We don't have any patchesJustin Lecher2013-07-192-5/+4
| | | | Package-Manager: portage-2.2.0_alpha188
* sci-chemistry/gnome-chemistry-utils: Drop unneeded patch and fix goffice depJustin Lecher2013-07-183-4/+7
| | | | | Package-Manager: portage-2.2.0_alpha188 RepoMan-Options: --force
* Merge branch 'jlec'Justin Lecher2013-07-112-280/+284
|\ | | | | | | | | * jlec: sci-chemistry/coot: Update pc patch
| * sci-chemistry/coot: Update pc patchJustin Lecher2013-07-112-280/+284
| | | | | | | | Package-Manager: portage-2.2.0_alpha188
* | sci-chemistry/nmrpipe: Fix for prefixJustin Lecher2013-07-112-5/+9
| | | | | | | | | | Package-Manager: portage-2.2.0_alpha188 RepoMan-Options: --force
* | sci-chemistry/gnome-chemistry-utils: Add live ebuild, fix extern C problems, ↵Justin Lecher2013-07-104-2/+155
|/ | | | | | #474498 and https://github.com/gentoo-science/sci/issues/84 Package-Manager: portage-2.2.0_alpha188
* Merge branch 'jlec'Justin Lecher2013-07-084-15/+299
|\ | | | | | | | | | | | | | | | | * jlec: Completly removed the directory check in the java source (we have everything under control in gentoo). Removed the .py extension from the -system.patch to make that part working again (it's installed without extensions to /usr/bin/!). Work in progress Signed-off-by: Justin Lecher <jlec@gentoo.org> sci-chemistry/rosetta: Fix: Ebuild calls die in a subshell sci-chemistry/rosetta: Add patches from www.csrosetta.org update to new lange patches Signed-off-by: Justin Lecher <jlec@gentoo.org>
| * Merge branch 'master' into jlecJustin Lecher2013-06-3011-10/+38
| |\ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | * master: (36 commits) sci-libs/msms: Version BUmp; Bump to new distutil-r1.eclass app-doc/root-docs: version bump sci-physics/root: version bump sys-cluster/hpl: version bump and fixes fixed deps In sci-libs/bigdft-abi-1.0.4-r1, CUDA support made compile. moved to gx86 moved to gx86 Beautify Beautify Beautify. Added new package: projections Added new package: projections Bashified package name mangling. sys-cluster/modules: Prefix keyworded. Added tests. FHS fixes. Add bunch of fedora patches Fixed missing use flag. sci-chemistry/ucsf-tools: Fix compilation with latest gcc sci-chemistry/modeller: Fix lib position, #474696 sci-chemistry/pymol: Update repo uri sci-chemistry/pymol: Update repo uri ...
| * | Completly removed the directory check in the java source (we have everything ↵Johann Schmitz2013-06-213-10/+49
| | | | | | | | | | | | | | | | | | | | | | | | under control in gentoo). Removed the .py extension from the -system.patch to make that part working again (it's installed without extensions to /usr/bin/!). Package-Manager: portage-2.1.12.2
| * | Merge branch 'master' into jlecJustin Lecher2013-06-2160-186/+329
| |\ \ | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | * master: (29 commits) sci-chemistry/shiftx: Block shiftx2 at runtime sci-chemistry/shiftx: Fix patch and add patch for buffer overflow fix The announced, but forgotten, change in sci-libs/fox-4.1.2-r2 actually done. The announced, but forgotten, change in sci-libs/etsf_io-1.0.3-r2 actually done. sci-physics/abinit/files/6.12.3-gui-makefiles.tbz put back, its deletion was a mistake. sci-libs/trilinos: Version bump and rewrite sci-libs/coinor-clp: Version bump and patch for mpi For sci-libs/bigdft-abi and sci-physics/bigdft, filter LDFLAGS for cuda use not to break nvcc. To sci-libs/bigdft-abi and sci-physics/bigdft added dev-util/gdbus-codegen among dependencies. Spaces in the testing snippet of fortran code in sci-libs/bigdft-abi-1.0.4.ebuild protected from reformatting. fixed qt4 build fixing manifests big fixes of metadata and package sub-herd re-distribution sci-physics/openmx upgraded to 3.7.3 with some openMP and MPI C/F90 juggling, previous sci-physics/openmx-3.6 preserved for the time being. sci-chemistry/talosn: drop upstream path in favour of our sci-chemistry/modeller: Fix broken symlink, #473680 sci-chemistry/mics: New package sci-chemistry/talosn: New package Abinit & friends upgraded to sci-physics/abinit-7.2.2. BigDFT moved from sci-libs to sci-physics, sci-physics/abinit uses sci-libs/bigdft-abi instead. Usage of LIBDIR/finclude abandoned in favour of /usr/include, as mostly used upstream. Old files cleaned up. Version of bigdft bumped to 1.7_pre24, moved from sci-libs to sci-physics. No longer used as a library by sci-physics/abinit. Usage of LIBDIR/finclude abandoned in favour of /usr/include, as used upstream. ...
| * | | Work in progressJustin Lecher2013-06-213-8/+253
| | | | | | | | | | | | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org>
* | | | version bumpChristoph Junghans2013-07-043-18/+19
| | | | | | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha186
* | | | sci-chemistry/pymol-plugins-ezviz: Fix path fixationJustin Lecher2013-07-022-0/+6
| |_|/ |/| | | | | | | | Package-Manager: portage-2.2.0_alpha186
* | | fixed depsChristoph Junghans2013-06-282-2/+4
| | | | | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha185 RepoMan-Options: --force
* | | sci-chemistry/ucsf-tools: Fix compilation with latest gccJustin Lecher2013-06-262-1/+15
| | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha184
* | | sci-chemistry/modeller: Fix lib position, #474696Justin Lecher2013-06-262-1/+6
| | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha184
* | | sci-chemistry/pymol: Update repo uriJustin Lecher2013-06-261-1/+1
| | | | | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha184 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* | | sci-chemistry/pymol: Update repo uriJustin Lecher2013-06-262-1/+4
| | | | | | | | | | | | | | | Package-Manager: portage-2.2.0_alpha184 Signed-off-by: Justin Lecher <jlec@gentoo.org>