New package: py-parmed (#27362)

* [py-parmed] created template

* [py-parmed]

- added homepage
- added description
- removed fixmes
- added dependencies
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Jen Herting 2021-11-11 14:58:29 -05:00 committed by GitHub
parent 0d06bf6027
commit 44b5c1e41a
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# Copyright 2013-2021 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 import *
class PyParmed(PythonPackage):
"""ParmEd is a general tool for aiding in investigations of
biomolecular systems using popular molecular simulation
packages, like Amber, CHARMM, and OpenMM written in
Python."""
homepage = "https://parmed.github.io/ParmEd/html/index.html"
pypi = "ParmEd/ParmEd-3.4.3.tar.gz"
version('3.4.3', sha256='90afb155e3ffe69230a002922b28968464126d4450059f0bd97ceca679c6627c')
depends_on('python@2.7:', type=('build', 'run'))
depends_on('py-setuptools', type='build')