[UppASD] [package list]

UppASD/6.0.2-cpeGNU-22.06 (UppASD-6.0.2-cpeGNU-22.06.eb)

This software is archived in the LUMI-EasyBuild-contrib GitHub repository as easybuild/easyconfigs/__archive__/u/UppASD/UppASD-6.0.2-cpeGNU-22.06.eb. The corresponding module would be UppASD/6.0.2-cpeGNU-22.06.

# contributed by Johan Hellsvik (PDC)
easyblock = 'MakeCp'

name = 'UppASD'
version = '6.0.2'

homepage = 'https://github.com/UppASD/UppASD/'

whatis = [
    'Uppsala Atomistic Spin Dynamics software'
]

description = """
The UppASD software package is a simulation suite to study magnetization dynamics
by means of the atomistic version of the Landau-Lifshitz-Gilbert (LLG) equation.
"""

toolchain = {'name': 'cpeGNU', 'version': '22.06'}
toolchainopts = {'openmp': True, 'usempi': True}

source_urls = ['https://github.com/%(name)s/%(name)s/archive/refs/tags/v%(version)s']
sources = [SOURCELOWER_TAR_GZ]

build_cmd = "make deps && make gfortran-ftn"

dependencies = [
     ('cray-libsci/22.06.1.3', EXTERNAL_MODULE),
]

files_to_copy = [
    (['./source/sd'], './bin/'),
    (['./ASD_GUI'], '.'),
    (['./ASD_Tools'], '.'),
    (['./examples'], '.'),
]

sanity_check_paths = {
    'files': ['bin/sd','ASD_GUI/ASD_GUI/ASD_GUI.py'],
    'dirs': ['bin','ASD_GUI','ASD_Tools','examples'],
}

moduleclass = 'phys'

[UppASD] [package list]