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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 Libvdwxc(AutotoolsPackage):
"""Portable C library of density functionals with van der Waals
interactions for density functional theory"""
homepage = "https://libvdwxc.gitlab.io/libvdwxc/"
url = "https://launchpad.net/libvdwxc/stable/0.4.0/+download/libvdwxc-0.4.0.tar.gz"
license("GPL-3.0-or-later")
version("0.4.0", sha256="3524feb5bb2be86b4688f71653502146b181e66f3f75b8bdaf23dd1ae4a56b33")
variant("mpi", default=True, description="Enable MPI support")
variant("pfft", default=False, description="Enable support for PFFT")
depends_on("fftw-api@3")
depends_on("mpi@2:", when="+mpi")
depends_on("pfft", when="+pfft")
# pfft needs MPI
conflicts("~mpi", "+pfft")
conflicts("^fftw~mpi", "+mpi")
def configure_args(self):
spec = self.spec
args = [
"--{0}-pfft".format("with" if self.spec.satisfies("+pfft") else "without"),
"MPICC=", # make sure both variables are always unset
"MPIFC=", # otherwise the configure scripts complains
]
if spec.satisfies("+mpi"):
# work around b0rken MPI detection: the MPI detection tests are
# run with CC instead of MPICC, triggering an error. So, setting
# CC/FC to the MPI compiler wrappers.
args += [
"--with-mpi",
"CC={0}".format(spec["mpi"].mpicc),
"FC={0}".format(spec["mpi"].mpifc),
]
else:
args += ["--without-mpi"]
return args
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