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# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import *
class Atompaw(AutotoolsPackage):
"""atompaw generates projector augmented wave (PAW)
potentials for electronics structure calculations."""
homepage = "https://users.wfu.edu/natalie/papers/pwpaw/"
url = "https://users.wfu.edu/natalie/papers/pwpaw/atompaw-4.2.0.0.tar.gz"
version('4.2.0.0', sha256='9ab4f4ab78a720fbcd95bbbc1403e8ff348d15570e7c694932a56be15985e93d')
version('4.1.1.0', sha256='b1ee2b53720066655d98523ef337e54850cb1e68b3a2da04ff5a1576d3893891')
version('4.1.0.6', sha256='42a46c0569367c0b971fbc3dcaf5eaec7020bdff111022b6f320de9f11c41c2c')
variant('libxc', default=False, description='Compile with libxc')
variant('shared', default=True)
depends_on('libxc', when='+libxc')
depends_on('blas')
def configure_args(self):
spec = self.spec
args = ['--with-linalg-prefix=' + spec['blas'].prefix]
args += ['--with-linalg-libs=' + ' '.join(spec['blas'].libs)]
if '+libxc' in spec:
args += ['--enable-libxc']
args += ['--with-libxc-prefix=' + spec['libxc'].prefix]
if '+shared' in spec:
args += ['--enable-shared']
else:
args += ['--enable-static']
return args
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