diff options
Diffstat (limited to 'sci-chemistry/gromacs/metadata.xml')
| -rw-r--r-- | sci-chemistry/gromacs/metadata.xml | 16 |
1 files changed, 13 insertions, 3 deletions
diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml index 44b30a77c485..41931c0c7a95 100644 --- a/sci-chemistry/gromacs/metadata.xml +++ b/sci-chemistry/gromacs/metadata.xml @@ -2,10 +2,20 @@ <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> <herd>sci-chemistry</herd> + <maintainer> + <email>ottxor@gentoo.org</email> + <name>Christoph Junghans</name> + </maintainer> <use> + <flag name="cuda">Enable cuda non-bonded kernels</flag> <flag name="double-precision">More precise calculations at the expense of speed</flag> - <flag name="fkernels">Enable building of Fortran Kernels for platforms - that dont have assembly loops</flag> - <flag name="single-precision">Single precision version of gromacs</flag> + <flag name="single-precision">Single precision version of gromacs (default)</flag> + <!-- acceleration optimization flags --> + <flag name="fkernels">Enable building of Fortran Kernels for platforms that dont have assembly loops</flag> + <flag name="sse41">Enable sse4.1 acceleration</flag> + <flag name="avx128fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag> + <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag> + <flag name="openmm">Add acceleration through <pkg>sci-libs/openmm</pkg></flag> + <flag name="power6">Enable Power6 optimizations</flag> </use> </pkgmetadata> |