include env setup

MDAnalysis · Jul 24, 2024 · d8219e1 · d8219e1
1 parent d5d82af
commit d8219e1
Showing 1 changed file with 6 additions and 7 deletions.
diff --git a/.github/workflows/gh-ci.yaml b/.github/workflows/gh-ci.yaml
@@ -65,23 +65,22 @@ jobs:
         installer:  mamba 
         shell: bash  -l {0} 
 
+    - name: Install openbabel
+      run: |
+        mamba install -c conda-forge 'openbabel<3.0.0'
+
     - name: Setup Conda Environment
       uses: mamba-org/setup-micromamba@v1
       with:
-        environment-file: devtools/conda-envs/test_env.yml
+        environment-file: devtools/conda-envs/test_env.yaml
         environment-name: mda-ob
         create-args: >-
           python==${{ matrix.python-version }}
 
-    - name: Install openbabel
-      run: |
-        mamba install -c conda-forge openbabel<3.0.0
-
     - name: Install package
       run: |
         python --version
-        mamba install -c conda-forge openbabel<3.0.0
-        python -m pip install .  --no-deps 
+        python -m pip install .  --no-deps
 
     - name: Python information
       run: |