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# Copyright 2013-2023 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.package import *
class Dftd4(MesonPackage):
"""Generally Applicable Atomic-Charge Dependent London Dispersion Correction"""
homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4"
url = "https://github.com/dftd4/dftd4/releases/download/v3.5.0/dftd4-3.5.0-source.tar.xz"
git = "https://github.com/dftd4/dftd4.git"
maintainers("awvwgk")
version("main", branch="main")
version("3.5.0", sha256="d2bab992b5ef999fd13fec8eb1da9e9e8d94b8727a2e624d176086197a00a46f")
version("3.4.0", sha256="24fcb225cdd5c292ac26f7d3204ee3c4024174adb5272eeda9ae7bc57113ec8d")
version("3.3.0", sha256="408720b8545532d5240dd743c05d57b140af983192dad6d965b0d79393d0a9ef")
version("3.2.0", sha256="cef505e091469aa9b8f008ee1756545bb87b02760bb2c7ca54854e20ba8c590a")
version("3.1.0", sha256="b652aa7cbf8d087c91bcf80f2d5801459ecf89c5d4176ebb39e963ee740ed54b")
version("3.0.0", sha256="a7539d68d48d851bf37b79e37ea907c9da5eee908d0aa58a0a7dc15f04f8bc35")
variant("openmp", default=True, description="Use OpenMP parallelisation")
variant("python", default=False, description="Build Python extension module")
depends_on("blas")
depends_on("lapack")
depends_on("mctc-lib")
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")
extends("python", 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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