| <?xml version="1.0" encoding="UTF-8"?> |
| <!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="single-precision">Single precision version of gromacs (default)</flag> |
| <flag name="boost">Enable external boost library</flag> |
| <flag name="tng">Enable new trajectory format - tng</flag> |
| <flag name="make-symlinks">Create symbolic links for pre-5.0 binary names</flag> |
| <!-- acceleration optimization flags --> |
| <flag name="offensive">Enable gromacs partly offensive quotes</flag> |
| <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag> |
| </use> |
| </pkgmetadata> |
