sci-libs/bigdft-abi/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="project">
    <email>sci-physics@gentoo.org</email>
    <name>Gentoo Physics Project</name>
  </maintainer>
  <longdescription lang="en">
BigDFT is a package whose main program allows one to find the total energy, 
charge density and electronic structure of systems made of electrons and nuclei 
(molecules and periodic solids) within Density Functional Theory (DFT), using 
pseudopotentials and a wavelets basis. BigDFT-ABI is its fork by ABINIT developers
to serve as a library for sci-physics/abinit.
</longdescription>
  <use>
    <flag name="cuda">Enable support for nVidia CUDA</flag>
    <flag name="etsf_io">
      Enable support for reading and writing the European Theoretical
      Spectroscopy facility (ETSF) file format
    </flag>
    <flag name="glib">
      Compile with GLib Object System support
    </flag>
    <flag name="opencl">Enable support for OpenCL GPU acceleration</flag>
    <flag name="scalapack">
      Use ScaLAPACK, a subset of LAPACK routines redesigned for heterogenous computing
    </flag>
  </use>
</pkgmetadata>