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-rw-r--r--var/spack/repos/builtin/packages/py-parmed/package.py21
1 files changed, 21 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/py-parmed/package.py b/var/spack/repos/builtin/packages/py-parmed/package.py
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+++ b/var/spack/repos/builtin/packages/py-parmed/package.py
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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')