Merge pull request #256 from deepmodeling/codecov

ci: add codecov

Author: anyangml

.github/workflows/cicd-ut.yml

@@ -22,4 +22,10 @@ jobs:
 
     - name: Run tests
       run: |
-        python -m pytest tests -vv
+        python -m pytest tests -vv --cov --cov-branch --cov-report=xml
+
+    - name: Upload coverage reports to Codecov
+      uses: codecov/codecov-action@v5
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
+        slug: deepmodeling/LAMBench

pyproject.toml

@@ -38,7 +38,7 @@ mace = ["mace-torch"]
 mattersim = ["mattersim >= 1.1.1"]
 orb = ["orb-models","pynanoflann@git+https://github.com/dwastberg/pynanoflann#egg=af434039ae14bedcbb838a7808924d6689274168"]
 sevenn = ["sevenn"]
-test = ["pytest"]
+test = ["pytest", "pytest-cov"]
 dflow = ["pydflow", "lbg"]
 phonopy = ["phonopy@git+https://github.com/phonopy/phonopy.git", "scikit-learn"]