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# Copyright 2013-2021 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 Dftd4(MesonPackage):
"""Generally Applicable Atomic-Charge Dependent London Dispersion Correction"""
homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4"
git = "https://github.com/dftd4/dftd4.git"
version("main", branch="main")
version("3.1.0", tag="v3.1.0")
version("3.0.0", tag="v3.0.0")
variant("openmp", default=True, description="Use OpenMP parallelisation")
variant("python", default=False, description="Build Python extension module")
depends_on("blas")
depends_on("cmake", type="build")
depends_on("lapack")
depends_on("meson@0.57.1:", type="build") # mesonbuild/meson#8377
depends_on("pkgconfig", type="build")
depends_on("py-cffi", when="+python")
depends_on("python@3.6:", when="+python")
def meson_args(self):
lapack = self.spec["lapack"].libs.names[0]
if lapack == "lapack":
lapack = "netlib"
elif lapack.startswith("mkl"):
lapack = "mkl"
elif lapack != "openblas":
lapack = "auto"
return [
"-Dlapack={0}".format(lapack),
"-Dopenmp={0}".format(str("+openmp" in self.spec).lower()),
"-Dpython={0}".format(str("+python" in self.spec).lower()),
]
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