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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 Xcfun(CMakePackage):
"""Exchange-Correlation functionals with arbitrary order derivatives."""
homepage = "https://github.com/dftlibs/xcfun"
url = "https://github.com/dftlibs/xcfun/archive/v2.1.0.tar.gz"
maintainers = ['robertodr', 'bast']
version('2.1.0',
sha256='64aac8c933cc129ce6326f3827e342abfd10b94ea4a302aaca9f10d342ad7656')
version('2.0.2',
sha256='b79a71861a9e1d0e33c1be89b34f6f052d430cd495a7df982c407ad0140c1dcd')
version('2.0.1',
sha256='719383c3fffdd5da5b005f56ffd97457b0b2fb48317e955263ef5384d53ddfca')
version('2.0.0',
sha256='34398e935c522d0b55e1803fd6116e7cd40677d1add8894ef08362361705cf25')
extends('python')
depends_on('cmake@3.14:', type='build')
depends_on('python@3:')
depends_on('py-pybind11')
depends_on('py-numpy')
def cmake_args(self):
spec = self.spec
args = [
"-DCMAKE_INSTALL_LIBDIR=lib",
"-DPYMOD_INSTALL_LIBDIR=/python{0}/site-packages".format(
spec["python"].version[:-1]),
"-DXCFUN_MAX_ORDER=8",
"-DXCFUN_PYTHON_INTERFACE=ON",
"-DPYTHON_EXECUTABLE={0}".format(spec['python'].command),
"-DENABLE_TESTALL=OFF",
]
return args
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