1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
|
# 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)
from spack.package import *
class Vacuumms(CMakePackage):
"""VACUUMMS: (Void Analysis Codes and Unix Utilities for Molecular Modeling and
Simulation) is a collection of research codes for the compuational analysis of
free volume in molecular structures, including the generation of code for the
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"
url = "https://github.com/frankwillmore/VACUUMMS/archive/refs/tags/v1.0.0.tar.gz"
git = "https://github.com/frankwillmore/VACUUMMS.git"
maintainers("frankwillmore")
version("master", branch="master")
version("1.1.1", tag="v1.1.1", commit="a395930c87f5b52ab0ab8db278bd2bde592e8f12")
version(
"1.0.0",
sha256="c18fe52f5041880da7f50d3808d37afb3e9c936a56f80f67838d045bf7af372f",
deprecated=True,
)
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"),
]
|