| Commit message (Collapse) | Author | Age | Files | Lines | |
|---|---|---|---|---|---|
| * | metadata.xml: Set type |   Justin Lecher | 2016-01-25 | 1 | -2/+2 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | metadata.xml: convert hard -> proj | Justin Lecher | 2016-01-25 | 1 | -1/+4 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | Drop ChangeLogs in favour of commit messages | Justin Lecher | 2016-01-07 | 1 | -127/+0 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | Convert all $Header$ to $Id$ tags as it has be done in gentoo.git | Justin Lecher | 2015-08-17 | 3 | -3/+3 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | Revert "Gentoo does https by default now" | Justin Lecher | 2015-06-21 | 1 | -1/+1 |
| | | | | | This reverts commit 98718494343af4990facdefb0033471686e975a6. | ||||
| * | Gentoo does https by default now | Justin Lecher | 2015-06-21 | 1 | -1/+1 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | Drop old python implementations | Justin Lecher | 2015-04-08 | 2 | -2/+2 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | In sci-chemistry/nwchem-6.5_p26243-r7, 2 more upstream patches added ↵ |   Honza Macháček | 2015-03-02 | 3 | -2/+12 |
| | | | | | | | (Hnd_rys and Tddft_grad) Package-Manager: portage-2.2.15 | ||||
| * | In sci-chemistry/nwchem-6.5_p26243-r6 two new upstream patches added ↵ | Honza Macháček | 2015-02-16 | 4 | -2/+27 |
| | | | | | | | (Dmapp_inc and Print1e), limit for internal coordinates increased to accomodate icosahedral clusters Package-Manager: portage-2.2.15 | ||||
| * | Added -lstdc++ to CUDA libraries in sci-chemistry/nwchem, now CUDA support ↵ | Honza Macháček | 2015-01-15 | 2 | -1/+8 |
| | | | | | | | (used in TCE only) compiles Package-Manager: portage-2.2.15 | ||||
| * | 2 new upstream patches of sci-chemistry/nwchem-6.5_p26243 added, USE_NOIO ↵ | Honza Macháček | 2015-01-05 | 3 | -5/+15 |
| | | | | | | | unset (disables semidirect calculations, introduced by mistake) Package-Manager: portage-2.2.15 | ||||
| * | Remove mpi USE flag from sci-chemistry/nwchem-6.5_p26243-r3 since MPI is ↵ | Honza Macháček | 2014-12-17 | 2 | -28/+37 |
| | | | | | | | mandatory for the 6.5 version; use tc-getPKG_CONFIG from toolchain-funcs.eclass instead of plain pkg-config; correct dep for pkgconfig to virtual; correct the pkgconfig names of libraries for the int64 versions Package-Manager: portage-2.2.14 | ||||
| * | One more correction of 64 vs 32 bit integers handling in ↵ | Honza Macháček | 2014-12-09 | 2 | -33/+60 |
| | | | | | | | sci-chemistry/nwchem-6.5_p26243. OpenMP support enabled, as well as some advanced methods not compiled by default. Package-Manager: portage-2.2.14 | ||||
| * | Handling of 32-bit versus 64-bit integers in ↵ | Honza Macháček | 2014-11-12 | 2 | -14/+30 |
| | | | | | | | sci-chemistry/nwchem-6.5_p26243-r1 corrected. Package-Manager: portage-2.2.14 | ||||
| * | sci-chemistry/nwchem bumped to 6.5_p26243. IUSE options expanded, including ↵ | Honza Macháček | 2014-11-11 | 5 | -1/+321 |
| | | | | | | | those fore 64 bit integers and CUDA support. CCSDTQ and linear response for CCSDT+ methods selected unconditionally for now. Package-Manager: portage-2.2.14 | ||||
| * | clean up |   Christoph Junghans | 2014-09-16 | 2 | -2/+5 |
| | | | | | Package-Manager: portage-2.2.8-r1 | ||||
| * | Changed the versioning of sci-chemistry/nwchem to use the package patchlevel ↵ | Honza Macháček | 2014-08-07 | 5 | -158/+70 |
| | | | | | | | versus the ebuild revision properly. Compilation without MPI support tested and corrected. Options added to compile with OpenMP, to compile the MRCC module, and to build against system BLAS. Package-Manager: portage-2.2.11-r1 | ||||
| * | Sanitize ebuild header | Justin Lecher | 2014-01-30 | 2 | -2/+2 |
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> | ||||
| * | In sci-chemistry/nwchem-6.3-r2, arranged for the TeX fonts creation in the ↵ | Honza Macháček | 2013-10-19 | 2 | -1/+4 |
| | | | | | | | sandbox. This time really. Package-Manager: portage-2.2.7 | ||||
| * | sci-chemistry/nwchem updated to 6.3 revision 2. The source directory name ↵ | Honza Macháček | 2013-10-19 | 3 | -0/+166 |
| | | | | | | | shortened to fit under the length restrictions in the makefiles. Arranged for the TeX fonts creation in the sandbox. Package-Manager: portage-2.2.7 | ||||
| * | sci-chemistry/nwchem updated to 6.3-r1, python makefile patch cosmetically ↵ | Honza Macháček | 2013-07-23 | 6 | -93/+34 |
| | | | | | | | improved, the python support linked properly to python2. Package-Manager: portage-2.1.12.13 | ||||
| * | sci-chemistry/nwchem: Drop old; drop virtual/fortran as the eclass depends on it | Justin Lecher | 2013-06-16 | 4 | -131/+10 |
| | | | | | Package-Manager: portage-2.2.0_alpha180 | ||||
| * | sci-chemistry/nwchem: Fix for correct usage of new python eclasses | Justin Lecher | 2013-06-04 | 2 | -0/+5 |
| | | | | | | Package-Manager: portage-2.2.0_alpha177 RepoMan-Options: --force | ||||
| * | sci-chemistry/freeon improved, the ebuild of the latest snapshot added. ↵ | Honza Macháček | 2013-05-30 | 4 | -0/+235 |
| | | | | | sci-chemistry/nwchem bumped to 6.3, building docs allowed. | ||||
| * | Improving mpi linking. It will now work with openmpi as well. |   François Bissey | 2013-03-14 | 2 | -1/+5 |
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| * | sci-chemistry/nwchem: Move to EAPI=5 and clean ebuild syntax style | Justin Lecher | 2013-03-03 | 3 | -59/+52 |
| | | | | | Package-Manager: portage-2.2.0_alpha164 | ||||
| * | [sci-chemistry/nwchem] Initial import from bug #393139. Mpi still doesnt work |   Alexey Shvetsov | 2012-12-02 | 8 | -0/+223 |
| Package-Manager: portage-2.2.0_alpha143 RepoMan-Options: --force | |||||
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