Merge branch 'development(calysta)' of https://github.com/WMD-group/M…

…acroDensity into development(calysta)

.github/workflows/ci.yaml

@@ -41,6 +41,7 @@ jobs:
         pip install setuptools setuptools_scm wheel
         pip install -r requirements.txt
         pip install pytest
+        pip install pytest-cov
         pip install pytest-mpl
         pip install -e .
     
@@ -50,5 +51,12 @@ jobs:
         pip show -V ase
     
     - name: Run tests
-      run: pytest --mpl tests/unit_tests.py
-
+      run: pytest --cov=macrodensity --mpl tests/unit_tests.py
+
+    - name: Upload coverage to Codecov
+      uses: codecov/codecov-action@v3
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
+        fail_ci_if_error: true
+
+