|
| 1 | +# GDPlib Python Package Setup Summary |
| 2 | + |
| 3 | +This document summarizes the improvements made to ensure `gdplib` can be properly installed via `pip install .` and published to PyPI. |
| 4 | + |
| 5 | +## ✅ What Was Fixed |
| 6 | + |
| 7 | +### 1. **Modern Python Packaging (pyproject.toml)** |
| 8 | +- Created a comprehensive `pyproject.toml` file following current Python packaging standards |
| 9 | +- Configured proper package discovery for all submodules |
| 10 | +- Added comprehensive metadata including dependencies, classifiers, and project URLs |
| 11 | +- Set up modern build system with `setuptools>=45` and `setuptools_scm` |
| 12 | + |
| 13 | +### 2. **Dependency Management** |
| 14 | +- Moved dependencies from separate `requirements.txt` into package configuration |
| 15 | +- Updated to support Python 3.8+ (removed outdated Python 3.6 support) |
| 16 | +- Proper version constraints for all dependencies |
| 17 | + |
| 18 | +### 3. **Package Discovery** |
| 19 | +- Fixed automatic discovery of all subpackages (`gdplib.*`) |
| 20 | +- Configured proper inclusion of data files (`.dat`, `.csv`, `.xlsx`, `.txt`, `.pdf`, etc.) |
| 21 | +- Ensured all 19 submodules are properly packaged |
| 22 | + |
| 23 | +### 4. **Version Management** |
| 24 | +- Implemented `setuptools_scm` for automatic version generation from git tags |
| 25 | +- Added proper version handling in `gdplib/__init__.py` with fallbacks |
| 26 | +- Version information accessible via `gdplib.__version__` |
| 27 | + |
| 28 | +### 5. **Backward Compatibility** |
| 29 | +- Updated `setup.py` with deprecation notice while maintaining compatibility |
| 30 | +- Fixed setup.cfg warnings and deprecated configurations |
| 31 | +- Both modern (`pyproject.toml`) and legacy (`setup.py`) packaging work |
| 32 | + |
| 33 | +### 6. **GitHub Actions Workflow for PyPI** |
| 34 | +- Created `.github/workflows/pypi.yml` for automated publishing |
| 35 | +- Supports both PyPI and TestPyPI publishing |
| 36 | +- Uses `pypa/gh-action-pypi-publish` action as requested |
| 37 | +- Includes proper authentication with `PYPI_USERNAME` and `PYPI_PASSWORD` secrets |
| 38 | +- Builds artifacts and publishes on new releases |
| 39 | + |
| 40 | +## 📦 Package Structure |
| 41 | + |
| 42 | +``` |
| 43 | +gdplib-0.1.dev325+g752c834.d20250708/ |
| 44 | +├── gdplib/ |
| 45 | +│ ├── __init__.py # Main package with version handling |
| 46 | +│ ├── _version.py # Auto-generated version file |
| 47 | +│ ├── batch_processing/ # All 19 submodules properly included |
| 48 | +│ ├── biofuel/ |
| 49 | +│ ├── cstr/ |
| 50 | +│ ├── disease_model/ |
| 51 | +│ ├── ex1_linan_2023/ |
| 52 | +│ ├── gdp_col/ |
| 53 | +│ ├── hda/ |
| 54 | +│ ├── jobshop/ |
| 55 | +│ ├── kaibel/ |
| 56 | +│ ├── med_term_purchasing/ |
| 57 | +│ ├── methanol/ |
| 58 | +│ ├── mod_hens/ |
| 59 | +│ ├── modprodnet/ |
| 60 | +│ ├── positioning/ |
| 61 | +│ ├── small_batch/ |
| 62 | +│ ├── spectralog/ |
| 63 | +│ ├── stranded_gas/ |
| 64 | +│ ├── syngas/ |
| 65 | +│ └── water_network/ |
| 66 | +└── All data files (.dat, .csv, .xlsx, etc.) included |
| 67 | +``` |
| 68 | + |
| 69 | +## 🚀 Installation & Usage |
| 70 | + |
| 71 | +### Local Installation |
| 72 | +```bash |
| 73 | +# Install from source (recommended for development) |
| 74 | +pip install . |
| 75 | + |
| 76 | +# Install in editable mode |
| 77 | +pip install -e . |
| 78 | + |
| 79 | +# Build wheel for distribution |
| 80 | +python -m build |
| 81 | +``` |
| 82 | + |
| 83 | +### Package Information |
| 84 | +```python |
| 85 | +import gdplib |
| 86 | +print(gdplib.__version__) # Shows current version |
| 87 | +``` |
| 88 | + |
| 89 | +## 🏗️ PyPI Publishing Setup |
| 90 | + |
| 91 | +### Required GitHub Secrets |
| 92 | +Set these in your repository settings: |
| 93 | + |
| 94 | +1. **For PyPI (production):** |
| 95 | + - `PYPI_USERNAME`: Your PyPI username or `__token__` |
| 96 | + - `PYPI_PASSWORD`: Your PyPI password or API token |
| 97 | + |
| 98 | +2. **For TestPyPI (testing):** |
| 99 | + - `TEST_PYPI_USERNAME`: Your TestPyPI username or `__token__` |
| 100 | + - `TEST_PYPI_PASSWORD`: Your TestPyPI password or API token |
| 101 | + |
| 102 | +### Publishing Process |
| 103 | +1. **Create a new release** on GitHub with a version tag (e.g., `v1.0.0`) |
| 104 | +2. **GitHub Actions automatically:** |
| 105 | + - Builds the package |
| 106 | + - Runs tests (if configured) |
| 107 | + - Publishes to TestPyPI |
| 108 | + - Publishes to PyPI (for tagged releases) |
| 109 | + |
| 110 | +### Manual Publishing |
| 111 | +```bash |
| 112 | +# Build the package |
| 113 | +python -m build |
| 114 | + |
| 115 | +# Check the package |
| 116 | +twine check dist/* |
| 117 | + |
| 118 | +# Upload to TestPyPI first |
| 119 | +twine upload --repository testpypi dist/* |
| 120 | + |
| 121 | +# Upload to PyPI |
| 122 | +twine upload dist/* |
| 123 | +``` |
| 124 | + |
| 125 | +## 📋 Configuration Files |
| 126 | + |
| 127 | +### Key Files Created/Updated: |
| 128 | +- ✅ `pyproject.toml` - Modern packaging configuration |
| 129 | +- ✅ `setup.py` - Updated with deprecation notice |
| 130 | +- ✅ `setup.cfg` - Fixed warnings |
| 131 | +- ✅ `gdplib/__init__.py` - Added version handling |
| 132 | +- ✅ `.github/workflows/pypi.yml` - Automated publishing |
| 133 | + |
| 134 | +## ✨ Best Practices Implemented |
| 135 | + |
| 136 | +1. **Modern Standards**: Uses `pyproject.toml` as the primary configuration |
| 137 | +2. **Semantic Versioning**: Automatic version management with git tags |
| 138 | +3. **Comprehensive Metadata**: Proper package description, keywords, and classifiers |
| 139 | +4. **Data File Inclusion**: All necessary data files are packaged |
| 140 | +5. **CI/CD Pipeline**: Automated testing and publishing workflow |
| 141 | +6. **Security**: Uses GitHub environment protection for PyPI publishing |
| 142 | + |
| 143 | +## 🔧 Testing the Package |
| 144 | + |
| 145 | +The package builds successfully and includes all 19 submodules with their data files. The packaging configuration follows Python packaging best practices and is ready for PyPI publication. |
| 146 | + |
| 147 | +**Package verified working with:** |
| 148 | +- ✅ Local installation (`pip install .`) |
| 149 | +- ✅ Wheel building (`python -m build`) |
| 150 | +- ✅ Package metadata (`pip show gdplib`) |
| 151 | +- ✅ All submodules included in distribution |
| 152 | + |
| 153 | +## 🎯 Next Steps |
| 154 | + |
| 155 | +1. **Test on TestPyPI**: Upload to TestPyPI first to verify everything works |
| 156 | +2. **Set up GitHub Secrets**: Add PyPI credentials to repository secrets |
| 157 | +3. **Create Release**: Tag a version and create a GitHub release to trigger publishing |
| 158 | +4. **Documentation**: Consider adding more comprehensive documentation for users |
| 159 | + |
| 160 | +The package is now ready for distribution via PyPI! 🚀 |
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