From 02309f7afe5aa9d9d42732490614becf608dd567 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Wed, 15 May 2024 16:04:27 -0400
Subject: [PATCH] benchmark performance of import (#653)

Do a benchmark before working on #526

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->
## Summary by CodeRabbit

- **New Features**
- Introduced benchmark tests for import functionality and command line
interface operations.
- **Tests**
	- Added new benchmark tests to assess performance improvements.
- **Chores**
- Integrated `pytest` and `pytest-codspeed` into the project for
enhanced testing capabilities.
<!-- end of auto-generated comment: release notes by coderabbit.ai -->

---------

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
---
 .github/workflows/benchmark.yml | 23 +++++++++++++++++++++++
 benchmark/__init__.py           |  0
 benchmark/test_import.py        | 18 ++++++++++++++++++
 pyproject.toml                  |  4 ++++
 4 files changed, 45 insertions(+)
 create mode 100644 .github/workflows/benchmark.yml
 create mode 100644 benchmark/__init__.py
 create mode 100644 benchmark/test_import.py

diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml
new file mode 100644
index 00000000..650ff59e
--- /dev/null
+++ b/.github/workflows/benchmark.yml
@@ -0,0 +1,23 @@
+name: Python package
+
+on:
+  - push
+  - pull_request
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python
+      uses: actions/setup-python@v5
+      with:
+        python-version: 3.12
+    - run: curl -LsSf https://astral.sh/uv/install.sh | sh
+    - name: Install dependencies
+      run: uv pip install --system .[amber,ase,pymatgen,benchmark] rdkit openbabel-wheel
+    - name: Run benchmarks
+      uses: CodSpeedHQ/action@v2
+      with:
+        token: ${{ secrets.CODSPEED_TOKEN }}
+        run: pytest benchmark/ --codspeed
diff --git a/benchmark/__init__.py b/benchmark/__init__.py
new file mode 100644
index 00000000..e69de29b
diff --git a/benchmark/test_import.py b/benchmark/test_import.py
new file mode 100644
index 00000000..04d46137
--- /dev/null
+++ b/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")
diff --git a/pyproject.toml b/pyproject.toml
index 8ffec5ef..5292ba9c 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -58,6 +58,10 @@ docs = [
     'jupyterlite-sphinx',
     'jupyterlite-xeus',
 ]
+benchmark = [
+    'pytest',
+    'pytest-codspeed',
+]
 
 [tool.setuptools.packages.find]
 include = ["dpdata*"]