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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="person">
<email>alexxy@gentoo.org</email>
<name>Alexey Shvetsov</name>
</maintainer>
<maintainer type="project">
<email>sci-chemistry@gentoo.org</email>
<name>Gentoo Chemistry Project</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="gmxapi">Add support for gmxapi library</flag>
<flag name="hwloc">Enable HWLoc lib support</flag>
<flag name="lmfit">Use external <pkg>sci-libs/lmfit</pkg></flag>
<flag name="opencl">Enable opencl non-bonded kernels</flag>
<flag name="single-precision">Single precision version of gromacs (default)</flag>
<flag name="tng">Enable new trajectory format - tng</flag>
<!-- acceleration optimization flags -->
<flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
<flag name="offensive">Enable gromacs partly offensive quotes</flag>
</use>
</pkgmetadata>
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