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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 Xcfun(CMakePackage):
"""Exchange-Correlation functionals with arbitrary order derivatives."""
homepage = "https://github.com/dftlibs/xcfun"
url = "https://github.com/dftlibs/xcfun/archive/v2.1.0.tar.gz"
maintainers("robertodr", "bast")
license("MPL-2.0-no-copyleft-exception")
version("2.1.1", sha256="8b602df74c7be83d501532565deafd1b7881946d94789122f24c309a669298ab")
version("2.1.0", sha256="64aac8c933cc129ce6326f3827e342abfd10b94ea4a302aaca9f10d342ad7656")
version("2.0.2", sha256="b79a71861a9e1d0e33c1be89b34f6f052d430cd495a7df982c407ad0140c1dcd")
version("2.0.1", sha256="719383c3fffdd5da5b005f56ffd97457b0b2fb48317e955263ef5384d53ddfca")
version("2.0.0", sha256="34398e935c522d0b55e1803fd6116e7cd40677d1add8894ef08362361705cf25")
extends("python")
depends_on("cmake@3.14:", type="build")
depends_on("python@3:")
depends_on("py-pybind11")
depends_on("py-numpy")
def cmake_args(self):
spec = self.spec
args = [
"-DCMAKE_INSTALL_LIBDIR=lib",
"-DPYMOD_INSTALL_LIBDIR=/python{0}/site-packages".format(spec["python"].version[:-1]),
"-DXCFUN_MAX_ORDER=8",
"-DXCFUN_PYTHON_INTERFACE=ON",
"-DPYTHON_EXECUTABLE={0}".format(spec["python"].command),
"-DENABLE_TESTALL=OFF",
]
return args
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