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Merge pull request #21962 from schiotz/20241203143655_new_pr_GPAW-set…
…ups24110 {chem}[system/system] GPAW-setups v24.11.0
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easybuild/easyconfigs/g/GPAW-setups/GPAW-setups-24.11.0.eb
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easyblock = 'Tarball' | ||
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name = 'GPAW-setups' | ||
version = '24.11.0' | ||
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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. | ||
""" | ||
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toolchain = SYSTEM | ||
source_urls = ['https://wiki.fysik.dtu.dk/gpaw-files/'] | ||
sources = [SOURCELOWER_TAR_GZ] | ||
checksums = ['964c81cc28f7f91a4686d3d3182c4ebda30efb09d3f96b7f95eae3146499c110'] | ||
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modextrapaths = {'GPAW_SETUP_PATH': ''} | ||
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moduleclass = 'chem' | ||
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sanity_check_paths = { | ||
'files': ['H.LDA.gz'], | ||
'dirs': [] | ||
} |