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# Copyright 2013-2019 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 Ape(Package):
"""A tool for generating atomic pseudopotentials within a Density-Functional
Theory framework"""
homepage = "http://www.tddft.org/programs/APE/"
url = "http://www.tddft.org/programs/APE/sites/default/files/ape-2.2.1.tar.gz"
version('2.2.1', sha256='1bdb7f987fde81f8a5f335da6b59fa884e6d185d4a0995c90fde7c04376ce9e3')
depends_on('gsl')
depends_on('libxc@:2.2.2')
def install(self, spec, prefix):
args = []
args.extend([
'--prefix=%s' % prefix,
'--with-gsl-prefix=%s' % spec['gsl'].prefix,
'--with-libxc-prefix=%s' % spec['libxc'].prefix
])
# When preprocessor expands macros (i.e. CFLAGS) defined as quoted
# strings the result may be > 132 chars and is terminated.
# This will look to a compiler as an Unterminated character constant
# and produce Line truncated errors. To vercome this, add flags to
# let compiler know that the entire line is meaningful.
# TODO: For the lack of better approach, assume that clang is mixed
# with GNU fortran.
if spec.satisfies('%clang') or spec.satisfies('%gcc'):
args.extend([
'FCFLAGS=-O2 -ffree-line-length-none'
])
configure(*args)
make()
make('install')
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