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Fix toolchains
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Remove already existing numexpr (in SciPy-bundle) and phonopy (foss variant)
Remove explicit toolchain specifications for dependencies
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Flamefire committed Jan 23, 2024
1 parent d5130a4 commit a9c2c1e
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Showing 5 changed files with 2 additions and 66 deletions.
4 changes: 1 addition & 3 deletions easybuild/easyconfigs/n/nglview/nglview-3.0.8-foss-2023a.eb
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Expand Up @@ -8,11 +8,9 @@ description = "IPython widget to interactively view molecular structures and tra

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

local_gfbf_ver = '2023a'

dependencies = [
('Python', '3.11.3'),
('SciPy-bundle', '2023.07', '', ('gfbf', local_gfbf_ver)),
('SciPy-bundle', '2023.07'),
('JupyterLab', '4.0.5'),
('nodejs', '18.17.1'),
('MDAnalysis', '2.6.1'), # optional
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23 changes: 0 additions & 23 deletions easybuild/easyconfigs/n/numexpr/numexpr-2.8.7-foss-2023a.eb

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Expand Up @@ -29,7 +29,7 @@ builddependencies = [

dependencies = [
('Python', '3.11.3'),
('SciPy-bundle', '2023.07', '', ('gfbf', local_gfbf_ver)), # provides numexpr
('SciPy-bundle', '2023.07'), # provides numexpr
('HDF5', '1.14.0'),
('LZO', '2.10'),
('Blosc', '1.21.5'),
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38 changes: 0 additions & 38 deletions easybuild/easyconfigs/p/phonopy/phonopy-2.20.0-gfbf-2023a.eb

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1 change: 0 additions & 1 deletion easybuild/easyconfigs/p/pyiron/pyiron-0.5.1-foss-2023a.eb
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Expand Up @@ -18,7 +18,6 @@ dependencies = [
('phonopy', '2.20.0'),
('spglib-python', '2.1.0'),
('ASE', '3.22.1'),
('numexpr', '2.8.7'),
('PyTables', '3.8.0'),
('nglview', '3.0.8'),
('tqdm', '4.66.1'),
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