19c20563cc
This patch adds license information for about 5,300 packages from automated sources. The license information was obtained from Alpine Linux and PyPI and processed using tooling available in https://github.com/boomanaiden154/spack-license-utils. The license field was added in after all other directives in an automated fashion. Note that while this license information is probably fairly accurate, it is not guaranteed to be accurate. In addition some of the license strings from Alpine Linux might not be valid SPDX license strings. Invalid SPDX identifiers can be picked up and fixed once we have validation/parsing infrastructure in place for the solver, and issues can be fixed as they come up.
54 lines
1.7 KiB
Python
54 lines
1.7 KiB
Python
# 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 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
|