diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 67ca88d..4bae7d7 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -16,7 +16,7 @@ repos: - id: check-toml # Python - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.8.0 + rev: v0.9.2 hooks: - id: ruff args: ["--fix"] @@ -29,7 +29,7 @@ repos: args: ["--write"] # C++ - repo: https://github.com/pre-commit/mirrors-clang-format - rev: v19.1.4 + rev: v19.1.7 hooks: - id: clang-format # Cython diff --git a/mddatasetbuilder/datasetbuilder.py b/mddatasetbuilder/datasetbuilder.py index fe26b8b..6e13a20 100644 --- a/mddatasetbuilder/datasetbuilder.py +++ b/mddatasetbuilder/datasetbuilder.py @@ -179,7 +179,7 @@ def builddataset(self, writegjf=True): gc.collect() timearray.append(time.time()) logger.info( - f"Step {len(timearray)-1} Done! Time consumed (s): {timearray[-1]-timearray[-2]:.3f}" + f"Step {len(timearray) - 1} Done! Time consumed (s): {timearray[-1] - timearray[-2]:.3f}" ) def _readtimestepsbond(self): @@ -609,7 +609,7 @@ def _bondtype(self, typebytes): if typebytes in self.bondtyperestore: return self.bondtyperestore[typebytes] typetuple = pickle.loads(typebytes) - typestr = f"{typetuple[0]}{''.join(map(str,typetuple[1]))}" + typestr = f"{typetuple[0]}{''.join(map(str, typetuple[1]))}" self.bondtyperestore[typebytes] = typestr return typestr