gentoo-overlay/sci-libs/libghemical/metadata.xml

<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
  <maintainer type="project">
    <email>sci-chemistry@gentoo.org</email>
    <name>Gentoo Chemistry Project</name>
  </maintainer>
  <longdescription>
Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models 
and molecular mechanics models (there is an experimental Tripos 5.2-like force 
field for organic molecules). Also a tool for reduced protein models is 
included. Geometry optimization, molecular dynamics and a large set of 
visualization tools are currently available.
</longdescription>
  <use>
    <flag name="mopac7">Use <pkg>sci-chemistry/mopac7</pkg> for semi-empirical
    calculations</flag>
    <flag name="mpqc">Use <pkg>sci-chemistry/mpqc</pkg> for quantum-mechanical
    calculations</flag>
  </use>
</pkgmetadata>