Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

[pre-commit.ci] pre-commit autoupdate #231

Merged
merged 2 commits into from
Jan 28, 2025
+4 −4
Merged

[pre-commit.ci] pre-commit autoupdate #231

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
f248cc8
[pre-commit.ci] pre-commit autoupdate
pre-commit-ci[bot] Jan 27, 2025
2ab1c33
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Jan 27, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
4 changes: 2 additions & 2 deletions .pre-commit-config.yaml
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ repos:
- id: check-toml
# Python
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.8.0
rev: v0.9.3
hooks:
- id: ruff
args: ["--fix"]
Expand All @@ -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
Expand Down
4 changes: 2 additions & 2 deletions mddatasetbuilder/datasetbuilder.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -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):
Expand Down Expand Up @@ -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

Expand Down
Loading