libvori/220621-cpeGNU-24.03 (libvori-220621-cpeGNU-24.03.eb)

Install with the EasyBuild-user module:

eb libvori-220621-cpeGNU-24.03.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider libvori/220621-cpeGNU-24.03.

EasyConfig:

# Contributed by Luca Marsella (CSCS)
# Modified for LUMI by Peter Larsson
# Bump to the latest version and CPE version by Radim Janalik (CSCS)
easyblock = 'CMakeMake'

name = 'libvori'
version = '220621'

homepage = 'https://brehm-research.de/libvori.php'

whatis = [
    'Description: libvori stands for \'Library for Voronoi Integration\', a library so far meant specifically for CP2K',
]

description = """
The libvori library implements recently developed methods of Voronoi integration
as well as the compressed bqb file format into a small C++ library, which is
called “libvori” (“Library for Voronoi Integration”). In principle, libvori
enables other programs to include these approaches. The present version of
libvori is a very early development version, which is hard-coded to work with
the CP2k program package, in which I have recently implemented these two methods.
There is no well-defined interface or documentation yet. If you want to use
libvori in your code, please have some more patience
"""

toolchain = {'name': 'cpeGNU', 'version': '24.03'}
toolchainopts = {'usempi': False, 'openmp': False}

source_urls = ['https://brehm-research.de/files']
sources = [SOURCE_TAR_GZ]
checksums = ['1cfa98c564814bddacf1c0e7f11582137d758668f6307e6eb392c72317984c14']

builddependencies = [
    ('buildtools', '%(toolchain_version)s', '', True)
]

sanity_check_paths = {
    'files': ['lib/%(name)s.a'],
    'dirs':  ['lib'],
}

moduleclass = 'chem'

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