sci-chemistry/gromacs/metadata.xml

   1 <?xml version="1.0" encoding="UTF-8"?>
   2 <!DOCTYPE pkgmetadata SYSTEM "https://www.gentoo.org/dtd/metadata.dtd">
   3 <pkgmetadata>
   4         <maintainer type="person">
   5                 <email>alexxy@gentoo.org</email>
   6                 <name>Alexey Shvetsov</name>
   7         </maintainer>
   8         <maintainer type="project">
   9                 <email>sci-chemistry@gentoo.org</email>
  10                 <name>Gentoo Chemistry Project</name>
  11         </maintainer>
  12         <use>
  13                 <flag name="build-manual">Build manual instead of downloading it</flag>
  14                 <flag name="clang">Build gromacs with Clang instead of default compiler</flag>
  15                 <flag name="clang-cuda">Use clang for cuda units compilation</flag>
  16                 <flag name="cuda">Enable cuda non-bonded kernels</flag>
  17                 <flag name="double-precision">More precise calculations at the expense of speed</flag>
  18                 <flag name="gmxapi">Add support for gmxapi library</flag>
  19                 <flag name="gmxapi-legacy">Enable installing lagacy headers</flag>
  20                 <flag name="hwloc">Enable HWLoc lib support</flag>
  21                 <flag name="nnpot">Allow to use <pkg>sci-libs/caffe2</pkg> for NN Potentials</flag>
  22                 <flag name="opencl">Enable opencl non-bonded kernels</flag>
  23                 <flag name="single-precision">Single precision version of gromacs (default)</flag>
  24                 <flag name="tng">Enable new trajectory format - tng</flag>
  25                 <flag name="mkl">Use <pkg>sci-libs/mkl</pkg> for fft, blas, lapack routines</flag>
  26                 <flag name="offensive">Enable gromacs partly offensive quotes</flag>
  27         </use>
  28 </pkgmetadata>