66 lines
2.1 KiB
Bash
Executable File
66 lines
2.1 KiB
Bash
Executable File
#!/bin/bash
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# Startup script for SDF processing workflow
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echo "🚀 Starting SDF Processing Workflow"
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echo "===================================="
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# Check if we're in a pixi environment
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if [ -z "$PIXI_ENVIRONMENT_NAME" ]; then
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echo "📦 Activating pixi environment..."
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exec pixi run bash "$0" "$@"
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exit $?
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fi
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echo "✅ Pixi environment activated: $PIXI_ENVIRONMENT_NAME"
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# Test the environment
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echo "🧪 Running environment test..."
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python test_environment.py
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if [ $? -eq 0 ]; then
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echo ""
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echo "🎯 Ready to start! Choose your next step:"
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echo ""
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echo "1. Start Jupyter Notebook (recommended):"
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echo " jupyter notebook notebooks/ --ip=0.0.0.0 --port=8888 --no-browser"
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echo ""
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echo "2. Start Jupyter Lab:"
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echo " jupyter lab notebooks/ --ip=0.0.0.0 --port=8888 --no-browser"
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echo ""
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echo "3. Run extraction script directly:"
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echo " python -c \"import papermill as pm; pm.execute_notebook('notebooks/01_extract_sdf_files.ipynb', 'extracted_output.ipynb')\""
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echo ""
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echo "4. Open interactive shell:"
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echo " pixi shell"
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echo ""
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read -p "Enter your choice (1-4) or press Enter to start Jupyter: " choice
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case $choice in
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1)
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echo "📓 Starting Jupyter Notebook..."
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jupyter notebook notebooks/ --ip=0.0.0.0 --port=8888 --no-browser
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;;
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2)
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echo "📓 Starting Jupyter Lab..."
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jupyter lab notebooks/ --ip=0.0.0.0 --port=8888 --no-browser
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;;
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3)
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echo "🔄 Running extraction directly..."
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pixi add papermill
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python -c "import papermill as pm; pm.execute_notebook('notebooks/01_extract_sdf_files.ipynb', 'extracted_output.ipynb')"
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;;
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4)
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echo "🐚 Opening interactive shell..."
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bash
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;;
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*)
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echo "📓 Starting Jupyter Notebook (default)..."
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jupyter notebook notebooks/ --ip=0.0.0.0 --port=8888 --no-browser
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;;
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esac
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else
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echo "❌ Environment test failed. Please check the installation."
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exit 1
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fi
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