44 lines
1.5 KiB
Python
44 lines
1.5 KiB
Python
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack import *
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class Dftd4(MesonPackage):
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"""Generally Applicable Atomic-Charge Dependent London Dispersion Correction"""
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homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4"
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git = "https://github.com/dftd4/dftd4.git"
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version("main", branch="main")
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version("3.1.0", tag="v3.1.0")
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version("3.0.0", tag="v3.0.0")
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variant("openmp", default=True, description="Use OpenMP parallelisation")
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variant("python", default=False, description="Build Python extension module")
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depends_on("blas")
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depends_on("cmake", type="build")
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depends_on("lapack")
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depends_on("meson@0.57.1:", type="build") # mesonbuild/meson#8377
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depends_on("pkgconfig", type="build")
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depends_on("py-cffi", when="+python")
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depends_on("python@3.6:", when="+python")
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def meson_args(self):
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lapack = self.spec["lapack"].libs.names[0]
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if lapack == "lapack":
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lapack = "netlib"
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elif lapack.startswith("mkl"):
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lapack = "mkl"
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elif lapack != "openblas":
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lapack = "auto"
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return [
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"-Dlapack={0}".format(lapack),
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"-Dopenmp={0}".format(str("+openmp" in self.spec).lower()),
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"-Dpython={0}".format(str("+python" in self.spec).lower()),
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]
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