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| author | 健美猞猁 <weijianwen@gmail.com> | 2018-11-01 00:32:09 +0800 |
|---|---|---|
| committer | Massimiliano Culpo <massimiliano.culpo@gmail.com> | 2018-10-31 17:32:09 +0100 |
| commit | 79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1 (patch) | |
| tree | c2cf0d6c5b983a4d60622517253adad20b239050 /var | |
| parent | abad2c97437c7cac365b2faeed8631f3b1d8c928 (diff) | |
| download | spack-79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1.tar.gz spack-79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1.tar.bz2 spack-79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1.tar.xz spack-79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1.zip | |
Packmol: a new package. (#9687)
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/packmol/package.py | 16 |
1 files changed, 16 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/packmol/package.py b/var/spack/repos/builtin/packages/packmol/package.py new file mode 100644 index 0000000000..873e354f13 --- /dev/null +++ b/var/spack/repos/builtin/packages/packmol/package.py @@ -0,0 +1,16 @@ +# 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') |