Modern Setup Configuration - PyCompTox v0.3.0¶

Overview¶

PyCompTox has been upgraded to use modern Python packaging standards (PEP 621) with pyproject.toml as the primary configuration file.

What Changed¶

✅ New: pyproject.toml¶

All project metadata and configuration is now in pyproject.toml:

Package metadata: name, version, description, authors, URLs
Dependencies: Core and optional dependencies
Build system: Modern build backend (setuptools>=61.0)
Tool configurations: black, mypy, pytest, coverage, isort
Entry points: CLI command pycomptox-setup

✅ Updated: setup.py¶

setup.py is now a minimal backward compatibility shim: - All configuration moved to pyproject.toml - Keeps compatibility with older tools - Simply calls setup() with no arguments

✅ New: main.py¶

Added CLI module with command-line interface: - pycomptox-setup set YOUR_KEY - Save API key - pycomptox-setup show - Show configuration - pycomptox-setup test - Test API connection - pycomptox-setup delete - Delete saved key

Can also use: python -m pycomptox [command]

✅ New: py.typed¶

Added PEP 561 marker file for type checking support: - Enables type checkers (mypy) to use package types - Provides better IDE autocomplete - Full type annotation support

✅ New: MANIFEST.in¶

Controls distribution contents: - Includes: README, LICENSE, docs, type markers, tests - Excludes: cache files, build artifacts, notebooks

Optional Dependencies¶

Development Tools¶

pip install -e ".[dev]"

Includes: - pytest, pytest-cov (testing) - black (formatting) - flake8 (linting) - mypy (type checking) - types-requests (type stubs)

Notebook Support¶

pip install -e ".[notebook]"

Includes: - jupyter (notebooks) - pandas (data analysis) - matplotlib (visualization)

All Optional Dependencies¶

pip install -e ".[all]"

Includes everything (dev + notebook).

Tool Configurations¶

Black (Code Formatting)¶

[tool.black]
line-length = 100
target-version = ["py38", "py39", "py310", "py311", "py312"]

Usage:

black src/ tests/

MyPy (Type Checking)¶

[tool.mypy]
python_version = "3.8"
check_untyped_defs = true
ignore_missing_imports = true

Usage:

mypy src/pycomptox

Pytest (Testing)¶

[tool.pytest.ini_options]
testpaths = ["tests"]
python_files = ["test_*.py"]

Usage:

pytest tests/
pytest tests/ -v  # verbose
pytest tests/ -k "test_properties"  # specific tests

Coverage (Test Coverage)¶

[tool.coverage.run]
source = ["pycomptox"]
branch = true

Usage:

pytest --cov=pycomptox tests/
pytest --cov=pycomptox --cov-report=html tests/

Isort (Import Sorting)¶

[tool.isort]
profile = "black"
line_length = 100

Usage:

isort src/ tests/

Installation Methods¶

Standard Install¶

pip install .

Installs only core dependencies (requests).

Editable Install (Development)¶

pip install -e .

Installs in editable mode - changes to source code are immediately available without reinstalling.

With Optional Dependencies¶

# Development tools
pip install -e ".[dev]"

# Notebook support
pip install -e ".[notebook]"

# Everything
pip install -e ".[all]"

Building Distribution¶

Install Build Tools¶

pip install build

Build Packages¶

python -m build

Creates: - dist/pycomptox-0.3.0-py3-none-any.whl (wheel - recommended) - dist/pycomptox-0.3.0.tar.gz (source distribution)

Install from Wheel¶

pip install dist/pycomptox-0.3.0-py3-none-any.whl

Entry Point Scripts¶

After installation, these commands are available:

# Using the pycomptox-setup command
pycomptox-setup show
pycomptox-setup set YOUR_API_KEY
pycomptox-setup test
pycomptox-setup delete

# Using Python module syntax
python -m pycomptox show
python -m pycomptox set YOUR_API_KEY
python -m pycomptox test
python -m pycomptox delete

Benefits of Modern Setup¶

1. Standards Compliance¶

PEP 621: Modern declarative metadata
PEP 517/518: Modern build system
PEP 561: Type checking support

2. Better Tooling Support¶

Works with all modern Python packaging tools
Better IDE integration
Improved type checking

3. Cleaner Configuration¶

Single source of truth (pyproject.toml)
No more scattered configuration files
Tool configs in one place

4. Optional Dependencies¶

Install only what you need
Smaller default installation
Easy to add dev tools

5. Entry Points¶

Clean CLI interface
Automatic script creation
Cross-platform compatibility

Migration from Old Setup¶

If you previously installed with old setup.py:

# Uninstall old version
pip uninstall pycomptox

# Install new version
pip install -e ".[dev]"

Verification¶

Test the installation:

# Check version
import pycomptox
print(pycomptox.__version__)  # 0.3.0

# Check CLI
import subprocess
result = subprocess.run(["pycomptox-setup", "show"], capture_output=True)
print(result.stdout.decode())

Development Workflow¶

# 1. Clone and enter directory
git clone https://github.com/USEtox/PyCompTox.git
cd PyCompTox

# 2. Create virtual environment
python -m venv venv
source venv/bin/activate  # or venv\Scripts\activate on Windows

# 3. Install in editable mode with dev tools
pip install -e ".[dev]"

# 4. Format code
black src/ tests/

# 5. Sort imports
isort src/ tests/

# 6. Type check
mypy src/pycomptox

# 7. Run tests
pytest tests/

# 8. Check coverage
pytest --cov=pycomptox tests/

# 9. Build distribution
python -m build

Troubleshooting¶

"No module named 'pycomptox'"¶

Solution: Install the package

pip install -e .

"pycomptox-setup: command not found"¶

Solution: Reinstall with entry points

pip install -e . --force-reinstall

Or use Python module syntax:

python -m pycomptox show

Build errors¶

Solution: Update build tools

pip install --upgrade pip setuptools wheel build

Type checking not working¶

Solution: Install type stubs

pip install -e ".[dev]"

Summary¶

PyCompTox now uses modern Python packaging with:

✅ pyproject.toml - Single configuration file ✅ Optional dependencies - Install only what you need ✅ Type checking support - Full PEP 561 compliance ✅ CLI entry points - pycomptox-setup command ✅ Tool configurations - black, mypy, pytest, coverage ✅ Modern build system - PEP 517/518 compliant ✅ Better tooling support - Works with all modern tools

The package is now following current Python packaging best practices!