diff options
| author | Jen Herting <jen@herting.cc> | 2021-11-11 14:58:29 -0500 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2021-11-11 13:58:29 -0600 |
| commit | 44b5c1e41a61e3aa09ecd3cdefc8e0e49225a393 (patch) | |
| tree | 12e84c8d3f8d05939c9968a9b822b2575a7e81d4 | |
| parent | 0d06bf6027e479f4625009075d06a560265ddf3a (diff) | |
| download | spack-44b5c1e41a61e3aa09ecd3cdefc8e0e49225a393.tar.gz spack-44b5c1e41a61e3aa09ecd3cdefc8e0e49225a393.tar.bz2 spack-44b5c1e41a61e3aa09ecd3cdefc8e0e49225a393.tar.xz spack-44b5c1e41a61e3aa09ecd3cdefc8e0e49225a393.zip | |
New package: py-parmed (#27362)
* [py-parmed] created template
* [py-parmed]
- added homepage
- added description
- removed fixmes
- added dependencies
| -rw-r--r-- | var/spack/repos/builtin/packages/py-parmed/package.py | 21 |
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 new file mode 100644 index 0000000000..1eaad013b5 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-parmed/package.py @@ -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') |