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Diffstat (limited to 'sci-chemistry/gromacs/metadata.xml')
| -rw-r--r-- | sci-chemistry/gromacs/metadata.xml | 20 |
1 files changed, 20 insertions, 0 deletions
diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml new file mode 100644 index 000000000000..083289348b0d --- /dev/null +++ b/sci-chemistry/gromacs/metadata.xml @@ -0,0 +1,20 @@ +<?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> |