summaryrefslogtreecommitdiff
path: root/var/spack/repos/builtin/packages/vacuumms/package.py
blob: 96b07689e6ca6bd87b985c7cc75714d29c33f206 (plain) (blame)
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
48
49
# Copyright 2013-2024 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")

    license("Unlicense")

    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"),
        ]