New package: py-parmed (#27362)
* [py-parmed] created template * [py-parmed] - added homepage - added description - removed fixmes - added dependencies
This commit is contained in:
parent
0d06bf6027
commit
44b5c1e41a
21
var/spack/repos/builtin/packages/py-parmed/package.py
Normal file
21
var/spack/repos/builtin/packages/py-parmed/package.py
Normal file
@ -0,0 +1,21 @@
|
||||
# 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')
|
Loading…
Reference in New Issue
Block a user