Skip to content

Commit

Permalink
...and fix the Python formatter, which also broke somehow?
Browse files Browse the repository at this point in the history
  • Loading branch information
max-veit committed Jul 8, 2022
1 parent 8d04e8e commit ea9d108
Show file tree
Hide file tree
Showing 2 changed files with 3 additions and 1 deletion.
1 change: 1 addition & 0 deletions bindings/rascal/neighbourlist/structure_manager.py
Original file line number Diff line number Diff line change
Expand Up @@ -291,6 +291,7 @@ def retrieve_features_ase_atoms(atoms_list, key="features"):
raise IndexError(f"Key not found in structure number {idx:d}") from ide
return np.concatenate(features_matrix)


def get_neighbourlist(structure, options):
manager = NeighbourListFactory(options)
manager.update(**structure)
Expand Down
3 changes: 2 additions & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,8 @@ nbsphinx>=0.8.6
pygments>=2.4.1
# Developers tools for linting and formatting
cpplint==1.5.5
black==20.8b1
# Earlier versions are broken with latest Click (??)
black>=22.3.0
# Developers tools - data generation scripts
ase
mpmath
Expand Down

1 comment on commit ea9d108

@max-veit
Copy link
Contributor Author

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Black version bump thanks to this issue

Please sign in to comment.