[WIP commit] try and fix CI to deal with package splitting

.github/workflows/python-package-conda-cache.yml

@@ -54,7 +54,10 @@ jobs:
         id: cache
 
       - name: Update environment
-        run: mamba env update -n my-env -f environment.yml
+        run: |
+          mamba env update -n my-env -f environment.yml
+        #  mamba develop -n my-env qstack/qstack-qml
+        #mamba install -n my-env "qstack_qml @ file:$(pwd)/qstack/qstack-qml"
         if: steps.cache.outputs.cache-hit != 'true'
 
       - name: Run tests

.github/workflows/python-package-conda.yml

@@ -19,21 +19,24 @@ jobs:
       uses: actions/setup-python@v3
       with:
         python-version: 3.10.9
-    - name: Add conda to system path
-      run: |
-        # $CONDA is an environment variable pointing to the root of the miniconda directory
-        echo $CONDA/bin >> $GITHUB_PATH
+    #- name: Add conda to system path
+    #  run: |
+    #    # $CONDA is an environment variable pointing to the root of the miniconda directory
+    #    echo $CONDA/bin >> $GITHUB_PATH
     - name: Install dependencies
       run: |
-        conda env update --file environment.yml --name base
+        #conda env update --file environment.yml --name base
+        python3 -m pip install pip
+        pip install -r requirements.txt
+        pip install qstack/qstack-qml
     - name: Lint with flake8
       run: |
-        conda install flake8
+        pip install flake8
         # stop the build if there are Python syntax errors or undefined names
         flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
         # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
         flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
     - name: Test with pytest
       run: |
-        conda install pytest
+        pip install pytest
         pytest

environment.yml

@@ -49,3 +49,4 @@ dependencies:
     - ase==3.22
     - tqdm==4.66
     - git+https://github.com/lab-cosmo/equistore.git@e5b9dc365369ba2584ea01e9d6a4d648008aaab8#subdirectory=python/equistore-core
+    - qstack/qstack-qml