Add testing infrastructure (#2)

.github/workflows/ci.yml

@@ -0,0 +1,29 @@
+---
+name: continuous-integration
+on:
+  push:
+      branches:
+          - main
+  pull_request:
+
+jobs:
+  test-package:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v4
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: ${{ matrix.python-version }}
+
+      - name: Install package and its dependencies
+        run: python3 -m pip install -e .[dev]
+
+      - name: Run pytest
+        run: pytest -v --cov --cov-report json

pyproject.toml

@@ -21,3 +21,11 @@ requires-python = ">=3.9"
 dependencies = [
     "ase",
 ]
+
+[project.optional-dependencies]
+dev = [
+  "bumpver==2023.1129",
+  "pre-commit==3.6.0",
+  "pytest==7.4.4",
+  "pytest-cov==4.1.0",
+]

tests/test_cube.py

@@ -0,0 +1,6 @@
+from cubehandler import Cube
+
+
+def test_empty_cube():
+    cube = Cube()
+    assert cube is not None