lint

MolSSI · Jan 14, 2025 · 1be8274 · 1be8274
1 parent da744a1
commit 1be8274
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Showing 2 changed files with 7 additions and 5 deletions.
diff --git a/.github/workflows/Lint.yml b/.github/workflows/Lint.yml
@@ -30,7 +30,7 @@ jobs:
         python -m pip install -e '.[lint]'
 
     - name: Print code formatting with black (hints here if next step errors)
-      run: black --diff .
+      run: black qcengine --diff .
 
     - name: Lint
       shell: bash

diff --git a/qcengine/programs/cfour/keywords.py b/qcengine/programs/cfour/keywords.py
@@ -63,14 +63,16 @@ def format_keyword(keyword: str, val: Any) -> Tuple[str, str]:
 
     # * manual: (keyword is cc-pVXZ or PVXZ, where X = D, T, Q, 5, and 6, respectively)
     elif keyword in ["CFOUR_BASIS", "BASIS"] and val.upper() in [
-        "CC-PVDZ", "CC-PVTZ", "CC-PVQZ", "CC-PV5Z", "CC-PV6Z",
+        "CC-PVDZ",
+        "CC-PVTZ",
+        "CC-PVQZ",
+        "CC-PV5Z",
+        "CC-PV6Z",
     ]:
         text = val[:4].lower() + val[4:].upper()
 
     # manual: (keyword is PwCVXZ, where X = D, T, and Q, respectively)
-    elif keyword in ["CFOUR_BASIS", "BASIS"] and val.upper() in [
-        "PWCVDZ", "PWCVTZ", "PWCVQZ"
-    ]:
+    elif keyword in ["CFOUR_BASIS", "BASIS"] and val.upper() in ["PWCVDZ", "PWCVTZ", "PWCVQZ"]:
         text = "Pw" + val[3:].upper()
 
     # Transform the methods that *must* be mixed case