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MolSSI · May 7, 2024 · 1068798 · 1068798
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commit 1068798
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Showing 2 changed files with 10 additions and 13 deletions.
diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -171,18 +171,6 @@ jobs:
         pip install git+https://github.com/MolSSI/QCEngineRecords.git@${QCER_VER}#egg=qcenginerecords
         python -c "import qcengine; print(qcengine.config.global_repr())"
 
-    - name: Configure QCEngine
-      if: false
-      run: |
-        cat > qcengine.yaml <<EOF
-        all:
-          hostname_pattern: "*"
-          memory: 2
-          ncores: 2
-        EOF
-        cat qcengine.yaml
-        qcengine info
-
     - name: PyTest
       run: |
         pytest -rws -v ${{ matrix.cfg.pytest }} \

diff --git a/qcengine/programs/tests/test_ghost.py b/qcengine/programs/tests/test_ghost.py
@@ -193,7 +193,16 @@ def test_tricky_ghost(driver, qcprog, subject, basis, keywords):
             res = qcng.compute(atin, qcprog, raise_error=True)
         pytest.xfail("no ghosts with gamess")
 
-    atres = qcng.compute(atin, qcprog, task_config={"memory": 2.2})
+    config = qcng.config.get_config(
+        hostname="something",
+        task_config={
+            "ncores": 1,
+            "nnodes": 1,
+            "memory": 2.2,
+        },
+    )
+
+    atres = qcng.compute(atin, qcprog, task_config=config.dict())
     pprint.pprint(atres.dict(), width=200)
 
     assert compare_values(