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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>junghans@gentoo.org</email>
- <name>Christoph Junghans</name>
- </maintainer>
- <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="single-precision">Single precision version of gromacs (default)</flag>
- <flag name="boost">Enable external boost library</flag>
- <flag name="hwloc">Enable HWLoc lib support</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>
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