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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 Tblite(MesonPackage):
"""Light-weight tight-binding framework"""
homepage = "https://tblite.readthedocs.io"
url = "https://github.com/tblite/tblite/releases/download/v0.3.0/tblite-0.3.0.tar.xz"
git = "https://github.com/tblite/tblite.git"
maintainers("awvwgk")
version("0.3.0", sha256="46d77c120501ac55ed6a64dea8778d6593b26fb0653c591f8e8c985e35884f0a")
variant("openmp", default=True, description="Use OpenMP parallelisation")
variant("python", default=False, description="Build Python extension module")
depends_on("blas")
depends_on("dftd4@3:")
depends_on("lapack")
depends_on("mctc-lib@0.3:")
depends_on("meson@0.57.2:", type="build") # mesonbuild/meson#8377
depends_on("pkgconfig", type="build")
depends_on("py-cffi", when="+python")
depends_on("py-numpy", when="+python")
depends_on("python@3.6:", when="+python")
depends_on("simple-dftd3")
depends_on("toml-f")
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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