24 lines
784 B
Python
24 lines
784 B
Python
# 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 PyCclib(PythonPackage):
|
|
"""Open source library for parsing and interpreting the results of
|
|
computational chemistry packages"""
|
|
|
|
homepage = "https://cclib.github.io/"
|
|
|
|
version(
|
|
"1.5.post1",
|
|
sha256="c2bf043432ab8df461d61b4289d0eb869fe134eee545ea5a78f8dea14b392f47",
|
|
url="https://github.com/cclib/cclib/releases/download/v1.5/cclib-1.5.post1.tar.gz",
|
|
)
|
|
|
|
# pip silently replaces distutils with setuptools
|
|
depends_on("py-setuptools", type="build")
|
|
depends_on("py-numpy@1.5:", type=("build", "run"))
|