fix test

MolSSI · Aug 7, 2023 · 493a852 · 493a852
1 parent 7d3c87e
commit 493a852
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/qcengine/cli.py b/qcengine/cli.py
@@ -77,7 +77,7 @@ def parse_args():
     run_procedure = subparsers.add_parser(
         "run-procedure",
         parents=[parent_parser],
-        help="Run a procedure on a given task. " "Output is printed as a JSON blob.",
+        help="Run a procedure on a given task. Output is printed as a JSON blob.",
     )
     run_procedure.add_argument("procedure", type=str, help="The procedure to run.")
     run_procedure.add_argument(

diff --git a/qcengine/tests/test_procedures.py b/qcengine/tests/test_procedures.py
@@ -50,7 +50,7 @@ def test_geometric_psi4(input_data, optimizer, ncores):
     assert ret.provenance.creator.lower() == optimizer
     assert ret.trajectory[0].provenance.creator.lower() == "psi4"
 
-    if optimizer == "optking" and ncores == 4:
+    if optimizer == "optking":
         pytest.xfail("not passing threads to psi4")
     else:
         assert ret.trajectory[0].provenance.nthreads == ncores