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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 DFT massively parallel electronic structure code (GPL license) using a wavelet basis set. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation). GTH or HGH pseudopotentials are used to remove the core electrons. Thanks to our Poisson solver based on a Green function formalism, periodic systems, surfaces and isolated systems can be simulated with the proper boundary conditions.
</longdescription>
<use>
<flag name="cuda">Enable support for nVidia CUDA GPU acceleration</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>
<upstream>
<remote-id type="launchpad">bigdft</remote-id>
</upstream>
</pkgmetadata>
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