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Packmol: a new package. (#9687)

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健美猞猁 2018-11-01 00:32:09 +08:00 committed by Massimiliano Culpo
parent abad2c9743
commit 79e70afed4
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var/spack/repos/builtin/packages/packmol/package.py Normal file
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# Copyright 2013-2018 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 Packmol(CMakePackage):
"""Packmol creates an initial point for molecular dynamics simulations
by packing molecules in defined regions of space."""
homepage = "http://m3g.iqm.unicamp.br/packmol/home.shtml"
url = "https://github.com/mcubeg/packmol/archive/18.169.tar.gz"
version('18.169', sha256='8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9')