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author健美猞猁 <weijianwen@gmail.com>2018-11-01 00:32:09 +0800
committerMassimiliano Culpo <massimiliano.culpo@gmail.com>2018-10-31 17:32:09 +0100
commit79e70afed49cd0a23f8f38bfbfa66fa46b9ef0a1 (patch)
treec2cf0d6c5b983a4d60622517253adad20b239050
parentabad2c97437c7cac365b2faeed8631f3b1d8c928 (diff)
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Packmol: a new package. (#9687)
-rw-r--r--var/spack/repos/builtin/packages/packmol/package.py16
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')