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Move ASE from foss/2023a tol gfbf/2023a #19040

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Merged
Micket merged 1 commit into from
Oct 20, 2023
Merged

Move ASE from foss/2023a tol gfbf/2023a #19040

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33 changes: 17 additions & 16 deletions ...asyconfigs/a/ASE/ASE-3.22.1-foss-2023a.eb → ...asyconfigs/a/ASE/ASE-3.22.1-gfbf-2023a.eb
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Expand Up @@ -10,25 +10,24 @@ description = """ASE is a python package providing an open source Atomic Simulat
From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations
in C of functions in ASE. ASE uses it automatically when installed."""

toolchain = {'name': 'foss', 'version': '2023a'}
toolchain = {'name': 'gfbf', 'version': '2023a'}

dependencies = [
('Python', '3.11.3'),
('Python-bundle-PyPI', '2023.06'),
('SciPy-bundle', '2023.07'),
('Flask', '2.3.3'),
('matplotlib', '3.7.2'),
('Tkinter', '3.11.3'),
('Tkinter', '%(pyver)s'), # Needed by GUI of ASE
('spglib-python', '2.1.0'), # optional
]

sanity_pip_check = True
use_pip = True
sanity_pip_check = True

exts_list = [
('pytest-mock', '3.11.1', {
'checksums': [
'7f6b125602ac6d743e523ae0bfa71e1a697a2f5534064528c6ff84c2f7c2fc7f',
]
'checksums': ['7f6b125602ac6d743e523ae0bfa71e1a697a2f5534064528c6ff84c2f7c2fc7f'],
}),
('ase', version, {
'patches': [
Expand All @@ -38,22 +37,24 @@ exts_list = [
'ASE-3.22.1-Compatibility-with-Flask-2-2-2.patch',
],
'checksums': [
'004df6b0ea04b1114c790fadfe45d4125eb0e53125c66a93425af853d82ab432',
'8184765ecc9e14081b183fee5c4470da716d77caa67c25164018ac1fdd225eac',
'3a3473912f5f96ffc625119d87227781ba4ea581de15d4af6a58ba960cdf4601',
'c1cb07160b063d432f098efd40dd4b3c9f015b7966572c838a908613a482e0c8',
'2a05f98291dc970cb759904988783d1ecc3512ba6a0da852af1d3205667b398d',
]
{'ase-3.22.1.tar.gz': '004df6b0ea04b1114c790fadfe45d4125eb0e53125c66a93425af853d82ab432'},
{'ASE-3.22.1-Compatibility-with-pytest-from-Python-3-10.patch':
'8184765ecc9e14081b183fee5c4470da716d77caa67c25164018ac1fdd225eac'},
{'ASE-3.22.1-Compatibility-with-pytest-part-2.patch':
'3a3473912f5f96ffc625119d87227781ba4ea581de15d4af6a58ba960cdf4601'},
{'ASE-3.22.1-Compatibility-with-Scipy-2022-05.patch':
'c1cb07160b063d432f098efd40dd4b3c9f015b7966572c838a908613a482e0c8'},
{'ASE-3.22.1-Compatibility-with-Flask-2-2-2.patch':
'2a05f98291dc970cb759904988783d1ecc3512ba6a0da852af1d3205667b398d'},
],
}),
('ase-ext', '20.9.0', {
'checksums': [
'a348b0e42cf9fdd11f04b3df002b0bf150002c8df2698ff08d3c8fc7a1223aed',
]
'checksums': ['a348b0e42cf9fdd11f04b3df002b0bf150002c8df2698ff08d3c8fc7a1223aed'],
}),
]

sanity_check_paths = {
'files': ['bin/%(namelower)s'],
'files': ['bin/ase'],
'dirs': ['lib/python%(pyshortver)s/site-packages'],
}

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