[UppASD] [package list]

UppASD/6.0.2-cpeGNU-22.08 (UppASD-6.0.2-cpeGNU-22.08.eb)

Install with the EasyBuild-user module:

eb UppASD-6.0.2-cpeGNU-22.08.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider UppASD/6.0.2-cpeGNU-22.08.

EasyConfig:

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

name =    'UppASD'
version = '6.0.2'

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

whatis = [
    'Description: 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.

Note that not all features are fully installed or operational on LUMI. In particular,
the Python files needed to install the GUI are provided in $EBROOTUPPASD but
the GUI is not installed at the moment, and not all Python scripts in
$EBROOTUPPASD can work on LUMI.
"""

docurls = [
    'Web-based documentation at https://uppasd.github.io/UppASD-manual/',
]

toolchain = {'name': 'cpeGNU', 'version': '22.08'}
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"

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

# cray-libsci/22.08.1.1 is loaded by the toolchain so is not explicitly needed as a dependency.
# dependencies = [
#      ('cray-libsci/22.08.1.1', EXTERNAL_MODULE),
# ]

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

postinstallcmds = [
    'cd %(installdir)s/ASD_Tools && chmod a-x interactiveASD.py', # Disable this Python script as it needs matplotlib which is currently not included as a dependency
    'cd %(installdir)s/ASD_Tools && chmod a-x blsviz.py',        # Wrong shebang, and not clear what it really needs.
    'mkdir -p %(installdir)s/share/licenses/UppASD && cp LICENSE %(installdir)s/share/licenses/UppASD',
]

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]