diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 4d31ab63..156ab93a 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -8,20 +8,20 @@ ci: repos: - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.11.12 + rev: v0.13.3 hooks: - id: ruff args: [--fix] - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v5.0.0 + rev: v6.0.0 hooks: - id: check-yaml - id: end-of-file-fixer - id: trailing-whitespace - repo: https://github.com/pre-commit/mirrors-mypy - rev: v1.16.0 + rev: v1.18.2 hooks: - id: mypy @@ -34,7 +34,7 @@ repos: additional_dependencies: [tomli] # needed to read pyproject.toml below py3.11 - repo: https://github.com/MarcoGorelli/cython-lint - rev: v0.16.6 + rev: v0.17.0 hooks: - id: cython-lint args: [--no-pycodestyle] diff --git a/src/maml/describers/_matgl.py b/src/maml/describers/_matgl.py index 31bf73c0..8d57658f 100644 --- a/src/maml/describers/_matgl.py +++ b/src/maml/describers/_matgl.py @@ -114,5 +114,5 @@ def transform_one(self, structure: Structure | Molecule): if isinstance(self.return_type, dict): return atom_fea_dict - + return pd.DataFrame(np.concatenate(list(atom_fea_dict.values()), axis=1))