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Fixed issues with installation
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.github/workflows/pypi.yml

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name: Publish to PyPI
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on:
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release:
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types: [published]
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workflow_dispatch: # Allow manual triggering
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jobs:
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build:
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name: Build distribution
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runs-on: ubuntu-latest
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steps:
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0 # Fetch full history for setuptools_scm
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- name: Set up Python
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uses: actions/setup-python@v4
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with:
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python-version: "3.x"
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- name: Install build dependencies
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run: |
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python -m pip install --upgrade pip
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python -m pip install build
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- name: Build package
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run: python -m build
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- name: Upload artifacts
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uses: actions/upload-artifact@v3
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with:
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name: python-package-distributions
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path: dist/
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publish-to-pypi:
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name: Publish to PyPI
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if: startsWith(github.ref, 'refs/tags/') # Only publish on tag pushes
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needs:
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- build
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runs-on: ubuntu-latest
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environment:
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name: pypi
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url: https://pypi.org/p/gdplib
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permissions:
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id-token: write # IMPORTANT: mandatory for trusted publishing
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steps:
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- name: Download artifacts
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uses: actions/download-artifact@v3
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with:
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name: python-package-distributions
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path: dist/
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- name: Publish to PyPI
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uses: pypa/gh-action-pypi-publish@release/v1
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with:
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user: ${{ secrets.PYPI_USERNAME }}
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password: ${{ secrets.PYPI_PASSWORD }}
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publish-to-testpypi:
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name: Publish to TestPyPI
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needs:
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- build
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runs-on: ubuntu-latest
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environment:
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name: testpypi
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url: https://test.pypi.org/p/gdplib
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steps:
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- name: Download artifacts
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uses: actions/download-artifact@v3
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with:
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name: python-package-distributions
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path: dist/
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- name: Publish to TestPyPI
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uses: pypa/gh-action-pypi-publish@release/v1
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with:
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repository-url: https://test.pypi.org/legacy/
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user: ${{ secrets.TEST_PYPI_USERNAME }}
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password: ${{ secrets.TEST_PYPI_PASSWORD }}

PACKAGING_SUMMARY.md

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# GDPlib Python Package Setup Summary
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This document summarizes the improvements made to ensure `gdplib` can be properly installed via `pip install .` and published to PyPI.
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## ✅ What Was Fixed
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### 1. **Modern Python Packaging (pyproject.toml)**
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- Created a comprehensive `pyproject.toml` file following current Python packaging standards
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- Configured proper package discovery for all submodules
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- Added comprehensive metadata including dependencies, classifiers, and project URLs
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- Set up modern build system with `setuptools>=45` and `setuptools_scm`
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### 2. **Dependency Management**
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- Moved dependencies from separate `requirements.txt` into package configuration
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- Updated to support Python 3.8+ (removed outdated Python 3.6 support)
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- Proper version constraints for all dependencies
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### 3. **Package Discovery**
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- Fixed automatic discovery of all subpackages (`gdplib.*`)
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- Configured proper inclusion of data files (`.dat`, `.csv`, `.xlsx`, `.txt`, `.pdf`, etc.)
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- Ensured all 19 submodules are properly packaged
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### 4. **Version Management**
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- Implemented `setuptools_scm` for automatic version generation from git tags
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- Added proper version handling in `gdplib/__init__.py` with fallbacks
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- Version information accessible via `gdplib.__version__`
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### 5. **Backward Compatibility**
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- Updated `setup.py` with deprecation notice while maintaining compatibility
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- Fixed setup.cfg warnings and deprecated configurations
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- Both modern (`pyproject.toml`) and legacy (`setup.py`) packaging work
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### 6. **GitHub Actions Workflow for PyPI**
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- Created `.github/workflows/pypi.yml` for automated publishing
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- Supports both PyPI and TestPyPI publishing
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- Uses `pypa/gh-action-pypi-publish` action as requested
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- Includes proper authentication with `PYPI_USERNAME` and `PYPI_PASSWORD` secrets
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- Builds artifacts and publishes on new releases
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## 📦 Package Structure
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```
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gdplib-0.1.dev325+g752c834.d20250708/
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├── gdplib/
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│ ├── __init__.py # Main package with version handling
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│ ├── _version.py # Auto-generated version file
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│ ├── batch_processing/ # All 19 submodules properly included
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│ ├── biofuel/
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│ ├── cstr/
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│ ├── disease_model/
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│ ├── ex1_linan_2023/
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│ ├── gdp_col/
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│ ├── hda/
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│ ├── jobshop/
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│ ├── kaibel/
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│ ├── med_term_purchasing/
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│ ├── methanol/
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│ ├── mod_hens/
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│ ├── modprodnet/
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│ ├── positioning/
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│ ├── small_batch/
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│ ├── spectralog/
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│ ├── stranded_gas/
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│ ├── syngas/
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│ └── water_network/
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└── All data files (.dat, .csv, .xlsx, etc.) included
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```
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## 🚀 Installation & Usage
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### Local Installation
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```bash
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# Install from source (recommended for development)
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pip install .
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# Install in editable mode
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pip install -e .
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# Build wheel for distribution
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python -m build
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```
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### Package Information
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```python
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import gdplib
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print(gdplib.__version__) # Shows current version
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```
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## 🏗️ PyPI Publishing Setup
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### Required GitHub Secrets
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Set these in your repository settings:
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1. **For PyPI (production):**
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- `PYPI_USERNAME`: Your PyPI username or `__token__`
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- `PYPI_PASSWORD`: Your PyPI password or API token
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2. **For TestPyPI (testing):**
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- `TEST_PYPI_USERNAME`: Your TestPyPI username or `__token__`
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- `TEST_PYPI_PASSWORD`: Your TestPyPI password or API token
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### Publishing Process
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1. **Create a new release** on GitHub with a version tag (e.g., `v1.0.0`)
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2. **GitHub Actions automatically:**
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- Builds the package
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- Runs tests (if configured)
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- Publishes to TestPyPI
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- Publishes to PyPI (for tagged releases)
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### Manual Publishing
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```bash
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# Build the package
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python -m build
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# Check the package
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twine check dist/*
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# Upload to TestPyPI first
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twine upload --repository testpypi dist/*
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# Upload to PyPI
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twine upload dist/*
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```
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## 📋 Configuration Files
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### Key Files Created/Updated:
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-`pyproject.toml` - Modern packaging configuration
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-`setup.py` - Updated with deprecation notice
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-`setup.cfg` - Fixed warnings
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-`gdplib/__init__.py` - Added version handling
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-`.github/workflows/pypi.yml` - Automated publishing
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## ✨ Best Practices Implemented
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1. **Modern Standards**: Uses `pyproject.toml` as the primary configuration
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2. **Semantic Versioning**: Automatic version management with git tags
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3. **Comprehensive Metadata**: Proper package description, keywords, and classifiers
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4. **Data File Inclusion**: All necessary data files are packaged
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5. **CI/CD Pipeline**: Automated testing and publishing workflow
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6. **Security**: Uses GitHub environment protection for PyPI publishing
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## 🔧 Testing the Package
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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.
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**Package verified working with:**
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- ✅ Local installation (`pip install .`)
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- ✅ Wheel building (`python -m build`)
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- ✅ Package metadata (`pip show gdplib`)
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- ✅ All submodules included in distribution
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## 🎯 Next Steps
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1. **Test on TestPyPI**: Upload to TestPyPI first to verify everything works
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2. **Set up GitHub Secrets**: Add PyPI credentials to repository secrets
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3. **Create Release**: Tag a version and create a GitHub release to trigger publishing
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4. **Documentation**: Consider adding more comprehensive documentation for users
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The package is now ready for distribution via PyPI! 🚀

gdplib/__init__.py

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# Version handling
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try:
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from gdplib._version import __version__
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except ImportError:
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# Fallback for development installations
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try:
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from importlib.metadata import version, PackageNotFoundError
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except ImportError:
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from importlib_metadata import version, PackageNotFoundError
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try:
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__version__ = version("gdplib")
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except PackageNotFoundError:
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__version__ = "unknown"
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# Import all model modules
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import gdplib.mod_hens
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import gdplib.modprodnet
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import gdplib.biofuel

gdplib/_version.py

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# file generated by setuptools-scm
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# don't change, don't track in version control
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__all__ = ["__version__", "__version_tuple__", "version", "version_tuple"]
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TYPE_CHECKING = False
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if TYPE_CHECKING:
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from typing import Tuple
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from typing import Union
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VERSION_TUPLE = Tuple[Union[int, str], ...]
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else:
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VERSION_TUPLE = object
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version: str
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__version__: str
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__version_tuple__: VERSION_TUPLE
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version_tuple: VERSION_TUPLE
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__version__ = version = '0.1.dev325+g752c834.d20250708'
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__version_tuple__ = version_tuple = (0, 1, 'dev325', 'g752c834.d20250708')

pyproject.toml

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[build-system]
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requires = ["setuptools>=45", "wheel", "setuptools_scm[toml]>=6.2"]
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build-backend = "setuptools.build_meta"
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[project]
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name = "gdplib"
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authors = [
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{name = "Qi Chen", email = "qichen@andrew.cmu.edu"},
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]
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maintainers = [
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{name = "Qi Chen", email = "qichen@andrew.cmu.edu"},
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]
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description = "GDPlib open source model library for Generalized Disjunctive Programming"
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readme = "README.md"
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license = {text = "BSD-3-Clause"}
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keywords = ["pyomo", "generalized disjunctive programming", "optimization", "minlp"]
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classifiers = [
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"Development Status :: 4 - Beta",
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"Intended Audience :: Developers",
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"Intended Audience :: Science/Research",
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"License :: OSI Approved :: BSD License",
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"Operating System :: OS Independent",
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"Programming Language :: Python :: 3",
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"Programming Language :: Python :: 3.8",
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"Programming Language :: Python :: 3.9",
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"Programming Language :: Python :: 3.10",
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"Programming Language :: Python :: 3.11",
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"Programming Language :: Python :: 3.12",
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"Topic :: Scientific/Engineering :: Mathematics",
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"Topic :: Software Development :: Libraries :: Python Modules",
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]
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requires-python = ">=3.8"
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dependencies = [
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"Pyomo>=5.6.1",
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"setuptools>=39.0.1",
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"pandas>=1.0.1",
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"matplotlib>=2.2.2",
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]
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dynamic = ["version"]
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[project.urls]
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Homepage = "https://github.com/grossmann-group/gdplib"
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Repository = "https://github.com/grossmann-group/gdplib"
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Documentation = "https://github.com/grossmann-group/gdplib"
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"Bug Reports" = "https://github.com/grossmann-group/gdplib/issues"
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[tool.setuptools.packages.find]
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where = ["."]
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include = ["gdplib*"]
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[tool.setuptools.package-data]
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"*" = ["*.template", "*.json", "*.dat", "*.csv", "*.xlsx", "*.txt"]
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[tool.setuptools_scm]
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write_to = "gdplib/_version.py"

setup.cfg

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[metadata]
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description-file = README.md
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description_file = README.md
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long_description_content_type = text/markdown
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[bdist_wheel]
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universal = 0
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[tool:pytest]
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testpaths = tests
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python_files = test_*.py
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python_classes = Test*
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python_functions = test_*
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[flake8]
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max-line-length = 88
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extend-ignore = E203, W503

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