fix: make pre-commit pass

AstraZeneca · Sep 14, 2023 · 39e04bf · 39e04bf
1 parent 6e1edf8
commit 39e04bf
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Showing 3 changed files with 3 additions and 18 deletions.
diff --git a/.github/workflows/black.yml b/.github/workflows/black.yml
diff --git a/src/kallisto/units.py b/src/kallisto/units.py
@@ -59,8 +59,8 @@ def createUnits(version):
 
     try:
         units = Units(codata[version])
-    except KeyError:
-        raise NotImplementedError("Codata {0} not found".format(version))
+    except KeyError as err:
+        raise NotImplementedError("Codata {0} not found".format(version)) from err
 
     # Define all units
     # permittivity of vacuum

diff --git a/tests/test_molecule.py b/tests/test_molecule.py
@@ -35,7 +35,7 @@ def test_user_can_calculate_eeq_atomic_charges(lithium_hydride_coord):
     molecule = Molecule(symbols=atoms)
     eeq = molecule.get_eeq(charge=0)
     want = [0.51925854, -0.35007273, -0.16918582]
-    difference = sum([a - b for a, b in zip(want, eeq)])
+    difference = sum([a - b for a, b in zip(want, eeq, strict=True)])
     assert difference < 1e-6