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Merge pull request #21962 from schiotz/20241203143655_new_pr_GPAW-set…
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{chem}[system/system] GPAW-setups v24.11.0
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Micket authored Dec 18, 2024
2 parents 7f769c1 + 17174c2 commit d93d9ed
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29 changes: 29 additions & 0 deletions easybuild/easyconfigs/g/GPAW-setups/GPAW-setups-24.11.0.eb
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easyblock = 'Tarball'

name = 'GPAW-setups'
version = '24.11.0'

homepage = 'https://wiki.fysik.dtu.dk/gpaw/'
description = """PAW setups for the GPAW Density Functional Theory package.
Users can install setups manually using 'gpaw install-data' or use setups from this package.
The versions of GPAW and GPAW-setups can be intermixed.
Compared to version 0.9.20000, version 24.1.0 contains an new improved Cr setup with 14 electrons,
which can be manually selected. Otherwise no changes are made, so no results will change.
Version 21.11.0 contains setups for the Lanthanides.
"""

toolchain = SYSTEM
source_urls = ['https://wiki.fysik.dtu.dk/gpaw-files/']
sources = [SOURCELOWER_TAR_GZ]
checksums = ['964c81cc28f7f91a4686d3d3182c4ebda30efb09d3f96b7f95eae3146499c110']

modextrapaths = {'GPAW_SETUP_PATH': ''}

moduleclass = 'chem'

sanity_check_paths = {
'files': ['H.LDA.gz'],
'dirs': []
}

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