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| -rw-r--r-- | var/spack/repos/builtin/packages/gaussian-view/package.py | 41 |
1 files changed, 41 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/gaussian-view/package.py b/var/spack/repos/builtin/packages/gaussian-view/package.py new file mode 100644 index 0000000000..4de3c9e02b --- /dev/null +++ b/var/spack/repos/builtin/packages/gaussian-view/package.py @@ -0,0 +1,41 @@ +# Copyright 2013-2020 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 * +import os + + +class GaussianView(Package): + """GaussView 6 is the latest iteration of a graphical interface used with + Gaussian. It aids in the creation of Gaussian input files, enables the + user to run Gaussian calculations from a graphical interface without the + need for using a command line instruction, and helps in the interpretation + of Gaussian output""" + + homepage = "https://gaussian.com/gaussview6/" + manual_download = True + + version('6016', + '5dd6a8df8c81763e43a308b3a18d2d3b825d3597e9628dcf43e563d1867b9638', + extension='tbz') + + depends_on('gaussian@16-B.01', type='run') + + def url_for_version(self, version): + return "file://{0}/gv-{1}-Linux-x86_64.tbz".format(os.getcwd(), + version) + + def install(self, spec, prefix): + install_tree(os.getcwd(), self.prefix) + + def setup_run_environment(self, env): + env.set('GV_DIR', self.prefix) + env.prepend_path('PATH', self.prefix) + env.set('GV_LIB_PATH', self.prefix.lib) + env.prepend_path('GV_LIB_PATH', self.prefix.lib.MesaGL) + env.prepend_path('LD_LIBRARY_PATH', self.prefix.lib.MesaGL) + env.set('ALLOWINDIRECT', '1') + env.prepend_path('QT_PLUGIN_PATH', self.prefix.plugins) |