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Vacuumms 1.1.1 (#30458)

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* adding updated package for vacuumms

* deprecating old version

* add link to DOI

* style: trailing whitespace

* Update var/spack/repos/builtin/packages/vacuumms/package.py

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>

Co-authored-by: Tamara Dahlgren <35777542+tldahlgren@users.noreply.github.com>
This commit is contained in:
Frank Willmore 2022-05-03 20:13:43 -05:00 committed by GitHub
parent 43a503c195
commit a6589daa87
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1 changed files with 20 additions and 5 deletions
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var/spack/repos/builtin/packages/vacuumms/package.py
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@ -2,8 +2,6 @@
# Spack Project Developers. See the top-level COPYRIGHT file for details. # Spack Project Developers. See the top-level COPYRIGHT file for details.
# #
# SPDX-License-Identifier: (Apache-2.0 OR MIT) # SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack import * from spack import *
@ -11,7 +9,11 @@ class Vacuumms(CMakePackage):
"""VACUUMMS: (Void Analysis Codes and Unix Utilities for Molecular Modeling and """VACUUMMS: (Void Analysis Codes and Unix Utilities for Molecular Modeling and
Simulation) is a collection of research codes for the compuational analysis of Simulation) is a collection of research codes for the compuational analysis of
free volume in molecular structures, including the generation of code for the free volume in molecular structures, including the generation of code for the
production of high quality ray-traced images and videos.""" production of high quality ray-traced images and videos. Note that production of the
images from the generated code is considered post-processing and requires POVRay
and feh (on X11 systems) as post-processing dependencies. VACUUMMS has been tested
under Linux on x86_64 and ARM64. Please submit questions, pull requests, and bug
reports via github. https://dl.acm.org/doi/abs/10.1145/2335755.2335826"""
homepage = "https://github.com/frankwillmore/VACUUMMS" homepage = "https://github.com/frankwillmore/VACUUMMS"
url = "https://github.com/frankwillmore/VACUUMMS/archive/refs/tags/v1.0.0.tar.gz" url = "https://github.com/frankwillmore/VACUUMMS/archive/refs/tags/v1.0.0.tar.gz"
@ -20,6 +22,19 @@ class Vacuumms(CMakePackage):
maintainers = ['frankwillmore'] maintainers = ['frankwillmore']
version('master', branch='master') version('master', branch='master')
version('1.0.0', 'c18fe52f5041880da7f50d3808d37afb3e9c936a56f80f67838d045bf7af372f') version('1.1.1', tag='v1.1.1')
version('1.0.0', 'c18fe52f5041880da7f50d3808d37afb3e9c936a56f80f67838d045bf7af372f', deprecated=True)
depends_on('libtiff') variant('tiff', default=False, description='Build TIFF utilities')
variant('cuda', default=False, description='Build CUDA applications and utilities')
depends_on('libtiff', type=('link', 'run'), when='+tiff')
depends_on('cuda', type=('link', 'run'), when='+cuda')
depends_on('libx11', type=('link', 'run'))
depends_on('libxext', type=('link', 'run'))
depends_on('libsm', type=('link', 'run'))
depends_on('libice', type=('link', 'run'))
def cmake_args(self):
return [self.define_from_variant('BUILD_CUDA_COMPONENTS', 'cuda'),
self.define_from_variant('BUILD_TIFF_UTILS', 'tiff')]