Added oe toolkit + espaloma_charge to GPU env for testing

.github/workflows/gpu-runner.yaml

@@ -35,6 +35,8 @@ jobs:
     defaults:
       run:
         shell: bash -leo pipefail {0}
+    env:
+      OE_LICENSE: ${{ github.workspace }}/oe_license.txt
 
     needs:
       - start-aws-runner
@@ -55,6 +57,13 @@ jobs:
         with:
           environment-file: environment.yml
           environment-name: openfe_env
+          condarc: |
+            channels:
+              - conda-forge
+              - openeye-toolkits 
+          create-args: >-
+            espaloma_charge==0.0.8
+            openeye-toolkits
 
       - name: "Check if OpenMM can get a GPU"
         run: python -m openmm.testInstallation
@@ -76,6 +85,13 @@ jobs:
           micromamba list
           pip list
 
+      - name: Test OE License & Write License to File
+        env:
+          OE_LICENSE_TEXT: ${{ secrets.OE_LICENSE }}
+        run: |
+          echo "${OE_LICENSE_TEXT}" > ${OE_LICENSE}
+          python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'OpenEye license checks failed!'"
+
       - name: "Run tests"
         env:
           # Set the OFE_SLOW_TESTS to True if running a Cron job