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Diffstat (limited to 'sci-chemistry/gromacs/metadata.xml')
-rw-r--r--sci-chemistry/gromacs/metadata.xml21
1 files changed, 8 insertions, 13 deletions
diff --git a/sci-chemistry/gromacs/metadata.xml b/sci-chemistry/gromacs/metadata.xml
index 87e0f0a..753027d 100644
--- a/sci-chemistry/gromacs/metadata.xml
+++ b/sci-chemistry/gromacs/metadata.xml
@@ -1,27 +1,22 @@
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
- <herd>sci-chemistry</herd>
- <maintainer>
+ <maintainer type="person">
<email>ottxor@gentoo.org</email>
<name>Christoph Junghans</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="tng">Enable new trajectory format - tng</flag>
- <flag name="make-symlinks">Create symbolic links for pre-5.0 binary names</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>
<!-- 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="avx_128_fma">Enable 128bit avx with fma (e.g. AMD BullDozer)</flag>
- <flag name="avx256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
- <flag name="avx_256">Enable 256bit avx (e.g. Intel Sandy Bridge)</flag>
- <flag name="avx2_256">Enable 256bit avx2 (e.g. Intel Haswell)</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>