use uv for building. use 2 workers in CI for testing

Author: stefdoerr

.github/workflows/publish.yml

@@ -24,7 +24,7 @@ jobs:
       - uses: actions/setup-python@v5
 
       - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel==2.23.0
+        run: python -m pip install "cibuildwheel[uv]==2.23.0"
 
       - name: Build wheels
         run: python -m cibuildwheel --output-dir wheelhouse

.github/workflows/test.yml

@@ -43,16 +43,16 @@ jobs:
 
       - name: Install moleculekit
         run: |
-          pip install build pytest pytest-xdist
-          python -m build
+          pip install build pytest pytest-xdist uv
+          uv build
           pip install dist/moleculekit-*.whl
 
       - name: List conda environment
         run: conda list
 
       - name: Test
         run: |
-          pytest -n auto ./tests/ --durations=20
+          pytest -n 2 ./tests/ --durations=20
         env:
           LOCAL_PDB_REPO: ./tests/pdb/
           SKIP_SPEED_TESTS: True

pyproject.toml

@@ -59,4 +59,5 @@ norecursedirs = "test-data"
 [tool.cibuildwheel]
 skip = ["pp*"]  # Disable PyPy builds due to Cython
 test-requires = ["pytest", "pytest-xdist"]
-test-command = "pytest -n auto {project}/tests"
+test-command = "pytest -n auto {project}/tests"
+build-frontend = "build[uv]"