[pre-commit.ci] pre-commit autoupdate

.pre-commit-config.yaml

@@ -2,7 +2,7 @@ ci:
   autoupdate_schedule: "quarterly"
 repos:
 - repo: https://github.com/psf/black
-  rev: 23.12.1
+  rev: 24.4.2
   hooks:
   - id: black
     files: ^physical_validation
@@ -12,7 +12,7 @@ repos:
   - id: isort
     files: ^physical_validation
 - repo: https://github.com/PyCQA/flake8
-  rev: 6.1.0
+  rev: 7.1.0
   hooks:
   - id: flake8
     files: ^physical_validation

physical_validation/tests/test_data_gromacs_parser.py

@@ -39,9 +39,11 @@ def get_gromacs_simulation_data(
             mdp=gromacs_files["parameters"],
             top=gromacs_files["topology"],
             edr=gromacs_files["energy"],
-            gro=gromacs_files["final configuration"]
-            if not use_full_trajectory
-            else None,
+            gro=(
+                gromacs_files["final configuration"]
+                if not use_full_trajectory
+                else None
+            ),
             trr=gromacs_files["trajectory"] if use_full_trajectory else None,
         )
 

physical_validation/util/error.py

@@ -18,6 +18,7 @@
 
 class PhysicalValidationError(Exception):
     r"""Base class for exceptions in the physical_validation module."""
+
     pass