From c6e257ae39e2e86f2f1a12d1da044bbf9eff5e3a Mon Sep 17 00:00:00 2001 From: Antonio Arena Date: Tue, 14 Apr 2020 16:21:33 +0300 Subject: VMD: added new package at v1.9.3 (#16022) --- var/spack/repos/builtin/packages/vmd/package.py | 42 +++++++++++++++++++++++++ 1 file changed, 42 insertions(+) create mode 100644 var/spack/repos/builtin/packages/vmd/package.py diff --git a/var/spack/repos/builtin/packages/vmd/package.py b/var/spack/repos/builtin/packages/vmd/package.py new file mode 100644 index 0000000000..18dc9a9e43 --- /dev/null +++ b/var/spack/repos/builtin/packages/vmd/package.py @@ -0,0 +1,42 @@ +# 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 Vmd(Package): + """VMD provides user-editable materials which can be applied + to molecular geometry. + + These material properties control the details of how VMD shades + the molecular geometry, and how transparent or opaque the displayed + molecular geometry is. With this feature, one can easily create nice + looking transparent surfaces which allow inner structural details to + be seen within a large molecular structure. The material controls can + be particularly helpful when rendering molecular scenes using external + ray tracers, each of which typically differ slightly. + """ + + homepage = "https://www.ks.uiuc.edu/Research/vmd/" + version('1.9.3', sha256='145b4d0cc10b56cadeb71e16c54ab8be713e268f11491714cd617422758ec643', + url='file://{0}/vmd-1.9.3.bin.LINUXAMD64-CUDA8-OptiX4-OSPRay111p1.opengl.tar.gz'.format(os.getcwd())) + + phases = ['configure', 'install'] + + def setup_build_environment(self, env): + env.set('VMDINSTALLBINDIR', self.prefix.bin) + env.set('VMDINSTALLLIBRARYDIR', self.prefix.lib64) + + def configure(self, spec, prefix): + configure = Executable('./configure') + configure('LINUXAMD64') + + def install(self, spec, prefix): + with working_dir(join_path(self.stage.source_path, 'src')): + make('install') + + def setup_run_environment(self, env): + env.set('PLUGINDIR', self.spec.prefix.lib64.plugins) -- cgit v1.2.3-60-g2f50