VMD: added new package at v1.9.3 (#16022)

1 files changed, 42 insertions, 0 deletions

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)