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* 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>
* | | sci-chemistry/gnome-chemistry-utils: Fix min version of openbabelJustin Lecher2013-06-263-5/+9
| |/ |/| | | | | Package-Manager: portage-2.2.0_alpha183
* | sci-chemistry/shiftx: Block shiftx2 at runtimeJustin Lecher2013-06-212-0/+6
| | | | | | | | Package-Manager: portage-2.2.0_alpha183
* | sci-chemistry/shiftx: Fix patch and add patch for buffer overflow fixJustin Lecher2013-06-205-7/+34
| | | | | | | | Package-Manager: portage-2.2.0_alpha182
* | big fixes of metadata and package sub-herd re-distributionSébastien Fabbro2013-06-1836-97/+37
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* | Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sciHonza Macháček2013-06-182-2/+17
|\ \ | | | | | | | | | | | | Looks like I have broken something. Conflicts are reported in sci-libs/libxc. Trying desperately to recover.