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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)
import os
from spack.package import *
class Libgridxc(MakefilePackage):
"""A library to compute the exchange and correlation energy and potential
in spherical (i.e. an atom) or periodic systems.
"""
homepage = "https://gitlab.com/siesta-project/libraries/libgridxc"
git = "https://gitlab.com/siesta-project/libraries/libgridxc.git"
url = "https://gitlab.com/siesta-project/libraries/libgridxc/-/archive/libgridxc-0.9.6/libgridxc-libgridxc-0.9.6.tar.gz"
version('0.9.6', sha256='3b89ccc02d65729ea2d7cb291ae1d9b53acd65c1fd144e8846362cffb71b114a')
version('0.9.5', sha256='98aa34dbaffe360ff332606eebb7c842994244a3114015d89c5a3850298c40aa')
version('0.9.1', sha256='346735e30dd3a4099532a985b7a491f6d2b882954a527bdac655d87232be5341')
version('0.8.5', sha256='af293be83d85908231aba9074f2b51545457bc7fce87fab9f72010a10f0028a6')
version('0.8.4', sha256='b4f2f4af1f0c98b9e82505b99924da16e8c7719dd3e3e95f1d16e504b43944ce')
version('0.8.3', sha256='01643c2e009474d4eb1f945f7e506f465bf0378d19e56028bc4a9af56ab0b1f3')
version('0.8.0', sha256='ff89b3302f850d1d9f651951e4ade20dfa4c71c809a2d86382c6797392064c9c')
version('0.7.6', sha256='058b80f40c85997eea0eae3f15b7cc8105f817e59564106308b22f57a03b216b')
depends_on('autoconf@2.69:', type='build')
depends_on('automake@1.14:', type='build')
depends_on('libtool@2.4.2:', type='build')
depends_on('m4', type='build')
depends_on('libxc@:4.3.4', when='@0.8.0:')
build_directory = 'build'
parallel = False
def edit(self, spec, prefix):
sh = which('sh')
with working_dir('build', create=True):
sh('../src/config.sh')
copy('../extra/fortran.mk', 'fortran.mk')
@property
def build_targets(self):
args = ['PREFIX={0}'.format(self.prefix), 'FC=fc']
if self.spec.satisfies('@0.8.0:'):
args += ['WITH_LIBXC=1',
'LIBXC_ROOT={0}'.format(self.spec['libxc'].prefix)]
return args
def install(self, spec, prefix):
mkdirp(join_path(self.prefix, 'share', 'org.siesta-project'))
install(join_path(self.prefix, 'gridxc.mk'),
join_path(self.prefix, 'share', 'org.siesta-project', 'gridxc.mk'))
os.remove(join_path(self.prefix, 'gridxc.mk'))
install(join_path(self.prefix, 'libxc.mk'),
join_path(self.prefix, 'share', 'org.siesta-project', 'libxc.mk'))
os.remove(join_path(self.prefix, 'libxc.mk'))
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