fix pre-commit

.github/workflows/ci.yaml

@@ -73,7 +73,7 @@ jobs:
             run: sudo apt update && sudo apt install --no-install-recommends libfftw3-dev quantum-espresso
 
         -   name: Install Python dependencies
-            run: pip install -e .
+            run: pip install -e .[pre-commit,tests]
 
         -   name: Create AiiDA profile
             run: verdi setup -n --config .github/config/profile.yaml

aiida_bader/__init__.py

@@ -1,2 +1 @@
-
-__version__ = "0.0.8"
+__version__ = "0.0.8"

aiida_bader/qeapp/workchain.py

@@ -32,6 +32,7 @@ def check_codes(pw_code, pp_code, bader_code):
             "Bader calculations rely on large files that are not retrieved by AiiDA."
         )
 
+
 def update_resources(builder, codes):
     set_component_resources(builder.scf.pw, codes.get("pw"))
     set_component_resources(builder.pp_valence, codes.get("pp"))
@@ -68,18 +69,18 @@ def get_builder(codes, structure, parameters, **kwargs):
             ),
         },
         "bader": {
-        "metadata": {
-            "options": {
-                "withmpi": False,
-                "resources": {
-                    "num_machines": 1,
-                    "num_mpiprocs_per_machine": 1,
-                },
-                "max_wallclock_seconds": 3600,
-            }
+            "metadata": {
+                "options": {
+                    "withmpi": False,
+                    "resources": {
+                        "num_machines": 1,
+                        "num_mpiprocs_per_machine": 1,
+                    },
+                    "max_wallclock_seconds": 3600,
+                }
+            },
         },
     }
-    }
     if pp_code is not None and bader_code is not None:
         builder = QeBaderWorkChain.get_builder_from_protocol(
             pw_code=pw_code,

examples/qe_bader_workchain.py

@@ -68,7 +68,7 @@
                 "max_wallclock_seconds": 3600,
             }
         },
-    }
+    },
 }
 
 builder = QeBaderWorkChain.get_builder_from_protocol(

pyproject.toml

@@ -81,4 +81,4 @@ exclude = [
 ]
 
 [tool.pylint.format]
-max-line-length = 120
+max-line-length = 120