59 lines
2.3 KiB
Python
59 lines
2.3 KiB
Python
# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import os
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from spack import *
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class Vmd(Package):
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"""VMD provides user-editable materials which can be applied
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to molecular geometry.
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These material properties control the details of how VMD shades
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the molecular geometry, and how transparent or opaque the displayed
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molecular geometry is. With this feature, one can easily create nice
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looking transparent surfaces which allow inner structural details to
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be seen within a large molecular structure. The material controls can
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be particularly helpful when rendering molecular scenes using external
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ray tracers, each of which typically differ slightly.
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"""
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homepage = "https://www.ks.uiuc.edu/Research/vmd/"
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version('1.9.3', sha256='145b4d0cc10b56cadeb71e16c54ab8be713e268f11491714cd617422758ec643',
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url='file://{0}/vmd-1.9.3.bin.LINUXAMD64-CUDA8-OptiX4-OSPRay111p1.opengl.tar.gz'.format(os.getcwd()))
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manual_download = True
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depends_on('libx11', type=('run', 'link'))
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depends_on('libxi', type=('run', 'link'))
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depends_on('libxinerama', type=('run', 'link'))
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depends_on('gl@3:', type=('run', 'link'))
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depends_on('patchelf', type='build')
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def setup_build_environment(self, env):
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env.set('VMDINSTALLBINDIR', self.prefix.bin)
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env.set('VMDINSTALLLIBRARYDIR', self.prefix.lib64)
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def install(self, spec, prefix):
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configure = Executable('./configure')
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configure('LINUXAMD64')
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with working_dir(join_path(self.stage.source_path, 'src')):
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make('install')
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@run_after('install')
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def ensure_rpaths(self):
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# make sure the executable finds and uses the Spack-provided
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# libraries, otherwise the executable may or may not run depending
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# on what is installed on the host
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patchelf = which('patchelf')
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rpath = ':'.join(
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self.spec[dep].libs.directories[0]
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for dep in ['libx11', 'libxi', 'libxinerama', 'gl'])
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patchelf('--set-rpath', rpath,
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join_path(self.prefix, 'lib64', 'vmd_LINUXAMD64'))
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def setup_run_environment(self, env):
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env.set('PLUGINDIR', self.spec.prefix.lib64.plugins)
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