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...and fix the Python formatter, which also broke somehow?
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bindings/rascal/neighbourlist/structure_manager.py

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@@ -291,6 +291,7 @@ def retrieve_features_ase_atoms(atoms_list, key="features"):
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raise IndexError(f"Key not found in structure number {idx:d}") from ide
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return np.concatenate(features_matrix)
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def get_neighbourlist(structure, options):
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manager = NeighbourListFactory(options)
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manager.update(**structure)

requirements.txt

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@@ -17,7 +17,8 @@ nbsphinx>=0.8.6
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pygments>=2.4.1
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# Developers tools for linting and formatting
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cpplint==1.5.5
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black==20.8b1
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# Earlier versions are broken with latest Click (??)
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black>=22.3.0
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# Developers tools - data generation scripts
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ase
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mpmath

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