diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 18b046c8..e2b0d3ff 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -8,7 +8,7 @@ ci: repos: - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.7.2 + rev: v0.9.4 hooks: - id: ruff args: [ --fix, --unsafe-fixes ] @@ -22,12 +22,12 @@ repos: - id: trailing-whitespace - repo: https://github.com/pre-commit/mirrors-mypy - rev: v1.13.0 + rev: v1.14.1 hooks: - id: mypy - repo: https://github.com/codespell-project/codespell - rev: v2.3.0 + rev: v2.4.1 hooks: - id: codespell stages: [ commit-msg ] @@ -35,7 +35,7 @@ repos: additional_dependencies: [ tomli ] # needed to read pyproject.toml below py3.11 - repo: https://github.com/MarcoGorelli/cython-lint - rev: v0.16.2 + rev: v0.16.6 hooks: - id: cython-lint args: [ --no-pycodestyle ] @@ -47,7 +47,7 @@ repos: - id: blacken-docs - repo: https://github.com/igorshubovych/markdownlint-cli - rev: v0.42.0 + rev: v0.44.0 hooks: - id: markdownlint # MD013: line too long @@ -58,12 +58,12 @@ repos: args: [ --disable, MD013, MD024, MD025, MD033, MD041, "--" ] - repo: https://github.com/kynan/nbstripout - rev: 0.8.0 + rev: 0.8.1 hooks: - id: nbstripout args: [ --drop-empty-cells, --keep-output ] - repo: https://github.com/RobertCraigie/pyright-python - rev: v1.1.387 + rev: v1.1.393 hooks: - id: pyright diff --git a/src/custodian/cli/run_nwchem.py b/src/custodian/cli/run_nwchem.py index 5dae45bf..42200a26 100644 --- a/src/custodian/cli/run_nwchem.py +++ b/src/custodian/cli/run_nwchem.py @@ -44,8 +44,7 @@ def main() -> None: nargs="?", default="nwchem", type=str, - help="Nwchem command. Defaults to nwchem. If you are using mpirun, " - 'set this to something like "mpirun nwchem".', + help='Nwchem command. Defaults to nwchem. If you are using mpirun, set this to something like "mpirun nwchem".', ) parser.add_argument( diff --git a/src/custodian/lobster/handlers.py b/src/custodian/lobster/handlers.py index 94086591..c231e1b7 100644 --- a/src/custodian/lobster/handlers.py +++ b/src/custodian/lobster/handlers.py @@ -27,7 +27,7 @@ def __init__(self, output_filename: str = "lobsterout") -> None: def check(self, directory: str = "./") -> bool: """ - checks if the VASP calculation had enough bands + Checks if the VASP calculation had enough bands Returns: (bool) if True, too few bands have been applied. """ diff --git a/src/custodian/vasp/handlers.py b/src/custodian/vasp/handlers.py index 2b152176..dfc3628b 100644 --- a/src/custodian/vasp/handlers.py +++ b/src/custodian/vasp/handlers.py @@ -38,8 +38,7 @@ from custodian.vasp.utils import increase_k_point_density __author__ = ( - "Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Wei Chen, " - "Stephen Dacek, Andrew Rosen, Janosh Riebesell" + "Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Wei Chen, Stephen Dacek, Andrew Rosen, Janosh Riebesell" ) __version__ = "0.1" __maintainer__ = "Shyue Ping Ong" @@ -1348,8 +1347,7 @@ def __init__(self, *args, **kwargs) -> None: kwargs: Keyword passed to parent class. """ warnings.warn( - "ScanMetalHandler is deprecated and will be removed in a future release. " - "Use KspacingMetalHandler instead.", + "ScanMetalHandler is deprecated and will be removed in a future release. Use KspacingMetalHandler instead.", DeprecationWarning, ) super().__init__(*args, **kwargs)