metadata.xml 759 B

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  1. <?xml version="1.0" encoding="UTF-8"?>
  2. <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
  3. <pkgmetadata>
  4. <maintainer type="project">
  5. <email>sci-chemistry@gentoo.org</email>
  6. <name>Gentoo Chemistry Project</name>
  7. </maintainer>
  8. <longdescription>
  9. Ghemical supports both quantum-mechanics (semi-empirical and ab initio) models
  10. and molecular mechanics models (there is an experimental Tripos 5.2-like force
  11. field for organic molecules). Also a tool for reduced protein models is
  12. included. Geometry optimization, molecular dynamics and a large set of
  13. visualization tools are currently available.
  14. </longdescription>
  15. <use>
  16. <flag name="openbabel">Use <pkg>sci-chemistry/openbabel</pkg> for file
  17. conversions</flag>
  18. </use>
  19. </pkgmetadata>