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# Copyright 2013-2024 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 Dftd3Lib(MakefilePackage):
"""A dispersion correction for density functionals,
Hartree-Fock and semi-empirical quantum chemical methods"""
homepage = "https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/dft-d3"
url = "https://github.com/dftbplus/dftd3-lib/archive/0.9.2.tar.gz"
version("0.9.2", sha256="4178f3cf2f3e7e982a7084ec66bac92b4fdf164537d9fc0ada840a11b784f0e0")
# This fixes a concurrency bug, where make would try to start compiling
# the dftd3 target before the lib target ended.
# Since the library is small, disabling causes not much harm
parallel = False
def edit(self, spec, prefix):
makefile = FileFilter("make.arch")
makefile.filter("FC = gfortran", "")
makefile.filter("LN = gfortran", "LN = $(FC)")
def install(self, spec, prefix):
mkdir(prefix.lib)
mkdir(prefix.bin)
mkdir(prefix.include)
install("lib/libdftd3.a", prefix.lib)
install("prg/dftd3", prefix.bin)
install("lib/dftd3_api.mod", prefix.include)
install("lib/dftd3_common.mod", prefix.include)
install("lib/dftd3_core.mod", prefix.include)
install("lib/dftd3_pars.mod", prefix.include)
install("lib/dftd3_sizes.mod", prefix.include)
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