diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index cd2658ab..9ed4b592 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -23,7 +23,7 @@ repos: - id: black-jupyter - repo: https://github.com/astral-sh/ruff-pre-commit # Ruff version. - rev: v0.0.278 + rev: v0.0.280 hooks: - id: ruff args: ["--fix"] diff --git a/dpdata/cp2k/cell.py b/dpdata/cp2k/cell.py index 7f5f3ef0..7af73353 100644 --- a/dpdata/cp2k/cell.py +++ b/dpdata/cp2k/cell.py @@ -28,24 +28,18 @@ def cell_to_low_triangle(A, B, C, alpha, beta, gamma): """ if not np.pi * 5 / 180 < alpha < np.pi * 175 / 180: raise RuntimeError( - "alpha=={}: must be a radian, and \ - must be in np.pi*5/180 < alpha < np.pi*175/180".format( - alpha - ) + f"alpha=={alpha}: must be a radian, and \ + must be in np.pi*5/180 < alpha < np.pi*175/180" ) if not np.pi * 5 / 180 < beta < np.pi * 175 / 180: raise RuntimeError( - "beta=={}: must be a radian, and \ - must be in np.pi*5/180 < beta < np.pi*175/180".format( - beta - ) + f"beta=={beta}: must be a radian, and \ + must be in np.pi*5/180 < beta < np.pi*175/180" ) if not np.pi * 5 / 180 < gamma < np.pi * 175 / 180: raise RuntimeError( - "gamma=={}: must be a radian, and \ - must be in np.pi*5/180 < gamma < np.pi*175/180".format( - gamma - ) + f"gamma=={gamma}: must be a radian, and \ + must be in np.pi*5/180 < gamma < np.pi*175/180" ) if not A > 0.2: raise RuntimeError(f"A=={A}, must be greater than 0.2")