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MolSSI · Oct 25, 2023 · b2ecc37 · b2ecc37
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diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml
@@ -29,6 +29,16 @@ jobs:
             label: Psi4-nightly
             runs-on: ubuntu-latest
 
+          - conda-env: psi-cf
+            python-version: "3.12"
+            label: Psi4-cf
+            runs-on: ubuntu-latest
+
+          - conda-env: psi-cf
+            python-version: "3.12"
+            label: Psi4-cf
+            runs-on: windows-latest
+
           - conda-env: torchani
             python-version: 3.8
             label: ANI

diff --git a/devtools/conda-envs/psi-cf.yaml b/devtools/conda-envs/psi-cf.yaml
@@ -0,0 +1,21 @@
+name: test
+channels:
+  - conda-forge
+  - conda-forge/label/libint_dev
+  - psi4/label/testing
+dependencies:
+  - psi4
+
+    # Core
+  - python
+  - pyyaml
+  - py-cpuinfo
+  - psutil
+  - qcelemental >=0.27.0
+  - pydantic>=1.10.13
+  - msgpack-python
+
+    # Testing
+  - pytest
+  - pytest-cov
+  - codecov