Adding code coverage

Author: ifilot

.github/workflows/build_pypi.yml

@@ -54,11 +54,18 @@ jobs:
           pip install virtualenv
           virtualenv venv
           . venv/bin/activate
-          pip install build pytest dist/*.whl
+          pip install build "coverage[toml]" pytest dist/*.whl
       - name: Perform unit tests
         run: |
           . venv/bin/activate
-          python -m pytest tests/*.py --verbose
+          python -m coverage run -m pytest tests/*.py --verbose
+          python -m coverage report
+          python -m coverage xml
+      - name: Upload coverage report
+        uses: codecov/codecov-action@v5
+        with:
+          files: coverage.xml
+          fail_ci_if_error: false
 
   upload_pypi:
     needs: [build-pip, test-pip]
@@ -73,4 +80,4 @@ jobs:
           name: whl
           path: dist
 
-      - uses: pypa/gh-action-pypi-publish@release/v1
+      - uses: pypa/gh-action-pypi-publish@release/v1

COMPILATION.md

@@ -1,8 +1,9 @@
 # PyDFT
 
-[![build](https://github.com/ifilot/pydft/actions/workflows/build_pypi.yml/badge.svg)](https://github.com/ifilot/pydft/actions/workflows/build_pypi.yml)
-[![PyPI](https://img.shields.io/pypi/v/pydft?color=green)](https://pypi.org/project/pydft/)
-[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)
+[![build](https://github.com/ifilot/pydft/actions/workflows/build_pypi.yml/badge.svg)](https://github.com/ifilot/pydft/actions/workflows/build_pypi.yml)
+[![codecov](https://codecov.io/gh/ifilot/pydft/branch/master/graph/badge.svg)](https://codecov.io/gh/ifilot/pydft)
+[![PyPI](https://img.shields.io/pypi/v/pydft?color=green)](https://pypi.org/project/pydft/)
+[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)
 
 > [!NOTE]  
 > Python based Density Functional Theory code for educational purposes. The

README.md

@@ -19,22 +19,36 @@ classifiers = [
     "Programming Language :: Python :: 3",
     "Operating System :: OS Independent",
 ]
-dependencies = [
-    "scipy>=1.15",
-    "numpy",
-    "pyqint>=1.2",
+dependencies = [
+    "scipy>=1.15",
+    "numpy",
+    "pyqint>=1.2",
     "pylebedev",
     "matplotlib",
-    "numba"
-]
-
-[tool.setuptools]
-include-package-data = true
-
-[tool.setuptools.packages.find]
-where = ["."]
-include = ["pydft*"]
+    "numba"
+]
+
+[project.optional-dependencies]
+test = [
+    "coverage[toml]",
+    "pytest",
+]
+
+[tool.setuptools]
+include-package-data = true
+
+[tool.setuptools.packages.find]
+where = ["."]
+include = ["pydft*"]
+
+[tool.coverage.run]
+branch = true
+source = ["pydft"]
+
+[tool.coverage.report]
+show_missing = true
+skip_covered = true
 
 [project.urls]
 "Homepage" = "https://github.com/ifilot/pydft"
-"Bug Tracker" = "https://github.com/ifilot/pydft/issues"
+"Bug Tracker" = "https://github.com/ifilot/pydft/issues"