Add test suite, CI/CD pipeline, and PyPI packaging infrastructure

.github/workflows/README.md

@@ -0,0 +1,80 @@
+# GitHub Actions Workflows
+
+This directory contains the CI/CD workflows for pyDIWASP.
+
+## Workflows
+
+### CI - Tests and Linting (`ci.yml`)
+
+This workflow runs automatically on:
+- Push to `main`, `master`, or `develop` branches
+- Pull requests targeting `main`, `master`, or `develop` branches
+- Manual trigger via workflow_dispatch
+
+**What it does:**
+- Tests the code on Python 3.8, 3.9, 3.10, 3.11, and 3.12
+- Runs flake8 linting to check code quality
+- Runs the full test suite with pytest
+- Generates code coverage reports
+- Uploads coverage to Codecov (optional)
+
+### Publish to PyPI (`publish.yml`)
+
+This workflow can be triggered:
+- Automatically when a new release is published on GitHub
+- Manually via the Actions tab (workflow_dispatch)
+
+**What it does:**
+- Builds the Python distribution (sdist and wheel)
+- Validates the distribution with twine
+- Publishes to Test PyPI (if manually triggered with test_pypi=true)
+- Publishes to PyPI (on release or manual trigger with test_pypi=false)
+
+**Setup Required:**
+To use the PyPI publishing workflow, you need to:
+1. Create an API token on PyPI (https://pypi.org/manage/account/token/)
+2. Add the token as a secret named `PYPI_API_TOKEN` in your repository settings
+3. (Optional) Create a Test PyPI token and add as `TEST_PYPI_API_TOKEN` for testing
+
+## Running Tests Locally
+
+To run the tests locally:
+
+```bash
+# Install dependencies
+pip install -r requirements.txt
+pip install pytest pytest-cov flake8
+
+# Run tests
+pytest tests/ -v
+
+# Run tests with coverage
+pytest tests/ -v --cov=. --cov-report=term
+
+# Run linting
+flake8 . --exclude=.git,__pycache__,.pytest_cache,build,dist,*.egg-info
+```
+
+## Test Suite
+
+The test suite includes:
+
+1. **Core Tests** (`tests/test_core.py`):
+   - Wavenumber calculations
+   - Significant wave height calculations
+   - Data validation functions
+   - Transfer functions (elevation, pressure)
+
+2. **API Tests** (`tests/test_api.py`):
+   - Spectrum information extraction (infospec)
+   - Spectrum interpolation (interpspec)
+   - Spectrum file writing (writespec)
+
+3. **Integration Tests** (`tests/test_integration.py`):
+   - Full directional spectrum analysis workflow
+   - Multiple estimation methods (IMLM, EMEP)
+   - File I/O operations
+   - Peak frequency detection
+   - Data validation integration
+
+**Total: 25 tests** documenting the existing capabilities of pyDIWASP.

.github/workflows/ci.yml

@@ -0,0 +1,53 @@
+name: CI - Tests and Linting
+
+on:
+  push:
+    branches: [ main, master, develop ]
+  pull_request:
+    branches: [ main, master, develop ]
+  workflow_dispatch:
+
+jobs:
+  test:
+    name: Test on Python ${{ matrix.python-version }}
+    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ['3.8', '3.9', '3.10', '3.11', '3.12']
+
+    steps:
+    - name: Checkout code
+      uses: actions/checkout@v4
+
+    - name: Set up Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v5
+      with:
+        python-version: ${{ matrix.python-version }}
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install -r requirements.txt
+        pip install pytest pytest-cov flake8
+
+    - name: Lint with flake8
+      run: |
+        # Stop the build if there are Python syntax errors or undefined names
+        flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics --exclude=.git,__pycache__,.pytest_cache,build,dist,*.egg-info
+        # Exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
+        flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics --exclude=.git,__pycache__,.pytest_cache,build,dist,*.egg-info
+
+    - name: Run tests with pytest
+      run: |
+        pytest tests/ -v --cov=. --cov-report=xml --cov-report=term
+
+    - name: Upload coverage to Codecov
+      uses: codecov/codecov-action@v4
+      if: matrix.python-version == '3.11'
+      with:
+        token: ${{ secrets.CODECOV_TOKEN }}
+        file: ./coverage.xml
+        flags: unittests
+        name: codecov-umbrella
+        fail_ci_if_error: false

.github/workflows/publish.yml

@@ -0,0 +1,56 @@
+name: Publish to PyPI
+
+on:
+  release:
+    types: [published]
+  workflow_dispatch:
+    inputs:
+      test_pypi:
+        description: 'Publish to Test PyPI instead of PyPI'
+        required: false
+        default: 'true'
+        type: boolean
+
+jobs:
+  build-and-publish:
+    name: Build and publish Python distribution to PyPI
+    runs-on: ubuntu-latest
+
+    steps:
+    - name: Checkout code
+      uses: actions/checkout@v4
+
+    - name: Set up Python
+      uses: actions/setup-python@v5
+      with:
+        python-version: '3.11'
+
+    - name: Install build dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install build twine
+
+    - name: Build distribution
+      run: |
+        python -m build
+
+    - name: Check distribution
+      run: |
+        twine check dist/*
+
+    - name: Publish to Test PyPI
+      if: github.event_name == 'workflow_dispatch' && inputs.test_pypi
+      continue-on-error: true
+      env:
+        TWINE_USERNAME: __token__
+        TWINE_PASSWORD: ${{ secrets.TEST_PYPI_API_TOKEN }}
+      run: |
+        twine upload --repository testpypi dist/*
+
+    - name: Publish to PyPI
+      if: github.event_name == 'release' || (github.event_name == 'workflow_dispatch' && !inputs.test_pypi)
+      env:
+        TWINE_USERNAME: __token__
+        TWINE_PASSWORD: ${{ secrets.PYPI_API_TOKEN }}
+      run: |
+        twine upload dist/*

.gitignore

@@ -20,9 +20,12 @@ parts/
 sdist/
 var/
 wheels/
+pip-wheel-metadata/
+share/python-wheels/
 *.egg-info/
 .installed.cfg
 *.egg
+MANIFEST
 
 # PyInstaller
 *.manifest
@@ -31,48 +34,17 @@ wheels/
 # Unit test / coverage reports
 htmlcov/
 .tox/
+.nox/
 .coverage
 .coverage.*
 .cache
 nosetests.xml
 coverage.xml
 *.cover
+*.py,cover
 .hypothesis/
 .pytest_cache/
 
-# Translations
-*.mo
-*.pot
-
-# Django stuff:
-*.log
-local_settings.py
-
-# Flask stuff:
-instance/
-.webassets-cache
-
-# Scrapy stuff:
-.scrapy
-
-# Sphinx documentation
-docs/_build/
-
-# PyBuilder
-target/
-
-# Jupyter Notebook
-.ipynb_checkpoints
-
-# pyenv
-.python-version
-
-# celery beat schedule file
-celerybeat-schedule
-
-# SageMath parsed files
-*.sage.py
-
 # Environments
 .env
 .venv
@@ -82,20 +54,7 @@ ENV/
 env.bak/
 venv.bak/
 
-# Spyder project settings
-.spyderproject
-.spyproject
-
-# Rope project settings
-.ropeproject
-
-# mkdocs documentation
-/site
-
-# mypy
-.mypy_cache/
-
-# IDEs
+# IDE
 .vscode/
 .idea/
 *.swp
@@ -105,3 +64,7 @@ venv.bak/
 # OS
 .DS_Store
 Thumbs.db
+
+# Temporary files
+/tmp/
+*.tmp