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<?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>
<!-- acceleration optimization flags -->
<flag name="sse4_1">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="offensive">Enable gromacs partly offensive quotes</flag>
<flag name="openmm">Add acceleration through <pkg>sci-libs/openmm</pkg></flag>
<flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
</use>
</pkgmetadata>
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