Merge pull request #117 from JaGeo/naik-aakash-patch-1

fix final coverage report not being generated

.github/workflows/python-package.yml

@@ -36,7 +36,7 @@ jobs:
           python -m uv pip install ase==3.23.0 && \
           flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics && \ 
           flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics && \
-          pytest --cov=autoplex --cov-report term-missing --cov-append --splits 4 --group ${{ matrix.split }} -vv --durations-path ./tests/test_data/.pytest-split-durations
+          pytest --cov=autoplex --cov-report term-missing --cov-append --splits 4 --group ${{ matrix.split }} -vv --durations-path /workspace/tests/test_data/.pytest-split-durations
         "
     - name: Upload coverage
       uses: actions/upload-artifact@v3

pyproject.toml

@@ -26,10 +26,8 @@ requires-python = ">=3.9"
 dependencies = [
      "pymatgen>=2024.8.9",
      "atomate2[strict,strict-forcefields]@git+https://github.com/QuantumChemist/atomate2.git@adjust_get_supercell_size",
-     #"FireWorks>=2.0.3",
      "ase==3.23.0",
      "matgl==1.1.3",
-     #"quippy-ase==0.9.14",
      "numpy==1.26.4",
      "mace-torch==0.3.4",
      "lightning-utilities==0.11.2",
@@ -66,18 +64,11 @@ docs = [
 strict = [
      "pymatgen>=2024.8.9",
      "atomate2[strict,strict-forcefields]@git+https://github.com/QuantumChemist/atomate2.git@adjust_get_supercell_size",
-     #"FireWorks==2.0.3",
-     # last known working ASE version: https://gitlab.com/ase/ase@2bab58f4e
-     #"ase@git+https://gitlab.com/ase/ase.git@2bab58f4e",
-     #"quippy-ase==0.9.14",
      "ase==3.23.0",
      "mace-torch==0.3.4",
      "lightning-utilities==0.11.2",
      "numpy==1.26.4",
      "typing",
-     #"jobflow==0.1.13",
-     #"pydantic==1.10.9",
-     #"pymatgen-analysis-defects==2023.8.22",
      "dgl==2.1.0",
      "torchdata==0.7.1",
 ]
@@ -178,7 +169,12 @@ exclude_lines = [
   "show_plot",
 ]
 
-# omit everything in test directory from coverage
+[tool.coverage.paths]
+source = [
+    "autoplex/",
+    "/workspace/autoplex/",
+]
+
 [tool.coverage.run]
 include = ["autoplex/*"]