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<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<herd>sci-chemistry</herd>
<maintainer>
<email>alexxy@gentoo.org</email>
<name>Alexey Shvetsov</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>
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