sci-chemistry/nwchem/metadata.xml


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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>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="blas">
      Use external BLAS library instead of the internal routines
    </flag>
  </use>
  <use>
    <flag name="cuda">
      Enable CUDA GPU support for the Tensor Contraction Engine generated
      methods (CI, MBPT, CC)
    </flag>
  </use>
  <use>
    <flag name="int64">
      Use 64 bits integers
    </flag>
  </use>
  <use>
    <flag name="lapack">
      Use external LAPACK library instead of the internal routines
    </flag>
  </use>
  <use>
    <flag name="mrcc">
      Compile the routines for Multi Reference Coupled Clusters theory
    </flag>
  </use>
  <use>
    <flag name="nwchem-tests">Install qa tests data</flag>
  </use>
  <use>
    <flag name="scalapack">
      Use external SCALAPACK library
    </flag>
  </use>
</pkgmetadata>