[spglib] [package list]

spglib/1.16.0-cpeGNU-21.08 (spglib-1.16.0-cpeGNU-21.08.eb)

This software is archived in the LUMI-EasyBuild-contrib GitHub repository as easybuild/easyconfigs/__archive__/s/spglib/spglib-1.16.0-cpeGNU-21.08.eb. The corresponding module would be spglib/1.16.0-cpeGNU-21.08.

# Contributed by Anton Kozhevnikov, Simon Pintarelli and Luca Marsella (CSCS)
# adapted for LUMI by Orian Louant

easyblock = 'CMakeMake'

name = 'spglib'
version = '1.16.0'

homepage = 'https://spglib.github.io/spglib/'

whatis = [
    'Description: Spglib is a library for finding and handling crystal symmetries written in C'
]

description = """
Spglib is a library for finding and handling crystal symmetries written in C.
"""

docurls = [
    'C-API: https://spglib.github.io/spglib/api.html',
]

toolchain = {'name': 'cpeGNU', 'version': '21.08'}
toolchainopts = {'usempi': False, 'openmp': True}

source_urls = ['https://github.com/spglib/%(name)s/archive/']
sources = ['v%(version)s.tar.gz']

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

postinstallcmds = [
    "mkdir %(installdir)s/include/%(name)s",
    "cp %(installdir)s/include/%(name)s.h %(installdir)s/include/%(name)s/",
]

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

moduleclass = 'chem'

[spglib] [package list]