benchmark performance of import

.github/workflows/test.yml

@@ -20,13 +20,18 @@ jobs:
         python-version: ${{ matrix.python-version }}
     - run: curl -LsSf https://astral.sh/uv/install.sh | sh
     - name: Install dependencies
-      run: uv pip install --system .[amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel
+      run: uv pip install --system .[amber,ase,pymatgen,test] coverage ./tests/plugin rdkit openbabel-wheel
     - name: Test
       run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
     - name: Run codecov
       uses: codecov/codecov-action@v4
       env:
         CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
+    - name: Run benchmarks
+      uses: CodSpeedHQ/action@v2
+      with:
+        token: ${{ secrets.CODSPEED_TOKEN }}
+        run: pytest benchmark/ --codspeed
   pass:
     needs: [build]
     runs-on: ubuntu-latest

benchmark/test_import.py

@@ -0,0 +1,18 @@
+import subprocess
+import sys
+
+import pytest
+
+
+@pytest.mark.benchmark
+def test_import():
+    """Test import dpdata."""
+    subprocess.check_output(
+        [sys.executable, "-c", "'from dpdata import LabeledSystem'"]
+    ).decode("ascii")
+
+
+@pytest.mark.benchmark
+def test_cli():
+    """Test dpdata command."""
+    subprocess.check_output([sys.executable, "-m", "dpdata", "-h"]).decode("ascii")

pyproject.toml

@@ -58,6 +58,10 @@ docs = [
     'jupyterlite-sphinx',
     'jupyterlite-xeus',
 ]
+test = [
+    'pytest',
+    'pytest-codspeed',
+]
 
 [tool.setuptools.packages.find]
 include = ["dpdata*"]