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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 AtomDft(MakefilePackage):
"""ATOM is a program for DFT calculations in atoms and pseudopotential
generation."""
homepage = "https://departments.icmab.es/leem/siesta/Pseudopotentials/"
url = "https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/atom-4.2.6.tgz"
version("4.2.6", sha256="489f0d883af35525647a8b8f691e7845c92fe6b5a25b13e1ed368edfd0391ed2")
depends_on("libgridxc")
depends_on("xmlf90")
def edit(self, spec, prefix):
copy("arch.make.sample", "arch.make")
@property
def build_targets(self):
return [
f"XMLF90_ROOT={self.spec['xmlf90'].prefix}",
f"GRIDXC_ROOT={self.spec['libgridxc'].prefix}",
"FC=fc",
]
def install(self, spec, prefix):
mkdir(prefix.bin)
install("atm", prefix.bin)
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