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# Copyright 2013-2023 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)
import os
from spack.package import *
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()
),
)
manual_download = True
depends_on("libx11", type=("run", "link"))
depends_on("libxi", type=("run", "link"))
depends_on("libxinerama", type=("run", "link"))
depends_on("gl@3:", type=("run", "link"))
depends_on("patchelf", type="build")
def setup_build_environment(self, env):
env.set("VMDINSTALLBINDIR", self.prefix.bin)
env.set("VMDINSTALLLIBRARYDIR", self.prefix.lib64)
def install(self, spec, prefix):
configure = Executable("./configure")
configure("LINUXAMD64")
with working_dir(join_path(self.stage.source_path, "src")):
make("install")
@run_after("install")
def ensure_rpaths(self):
# make sure the executable finds and uses the Spack-provided
# libraries, otherwise the executable may or may not run depending
# on what is installed on the host
patchelf = which("patchelf")
rpath = ":".join(
self.spec[dep].libs.directories[0] for dep in ["libx11", "libxi", "libxinerama", "gl"]
)
patchelf("--set-rpath", rpath, join_path(self.prefix, "lib64", "vmd_LINUXAMD64"))
def setup_run_environment(self, env):
env.set("PLUGINDIR", self.spec.prefix.lib64.plugins)
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