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feat: Add complete requirements and installation scripts

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- requirements.txt: Added all dependencies including PyTorch,
  torch-geometric, tensorboard for neural network training

- install.bat: One-click installation script that installs all
  dependencies with proper version constraints

- train_neural.bat: Training script that runs parametric neural
  network training on collected FEA data

Usage:
  1. Double-click install.bat to install dependencies
  2. Double-click train_neural.bat to train on bracket study

🤖 Generated with [Claude Code](https://claude.com/claude-code)

Co-Authored-By: Claude <noreply@anthropic.com>
This commit is contained in:
Antoine
2025-11-26 16:42:39 -05:00
parent 20cd66dff6
commit a005a4a98a
3 changed files with 285 additions and 9 deletions
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install.bat Normal file
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@echo off
REM ============================================================================
REM Atomizer Installation Script
REM ============================================================================
REM This script installs all dependencies for Atomizer including neural networks
REM
REM Prerequisites:
REM - Python 3.10+ installed
REM - pip available in PATH
REM
REM For GPU support, run this BEFORE the script:
REM pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu121
REM ============================================================================
echo.
echo ============================================================================
echo ATOMIZER INSTALLATION
echo ============================================================================
echo.
REM Check Python
python --version >nul 2>&1
if errorlevel 1 (
echo ERROR: Python not found in PATH
echo Please install Python 3.10+ and add it to PATH
pause
exit /b 1
)
echo Found Python:
python --version
echo.
REM Upgrade pip
echo Upgrading pip...
python -m pip install --upgrade pip
echo.
REM Install core dependencies
echo Installing core dependencies...
python -m pip install numpy">=1.24.0,<2.0.0" scipy pandas scikit-learn
echo.
REM Install optimization framework
echo Installing optimization framework...
python -m pip install optuna plotly matplotlib
echo.
REM Install FEA tools
echo Installing FEA/Nastran tools...
python -m pip install "pyNastran>=1.4.0,<1.5.0" h5py
echo.
REM Install web framework
echo Installing web framework...
python -m pip install fastapi uvicorn websockets pydantic python-multipart jinja2
echo.
REM Install utilities
echo Installing utilities...
python -m pip install psutil tqdm
echo.
REM Install PyTorch (CPU version by default)
echo.
echo ============================================================================
echo Installing PyTorch...
echo ============================================================================
echo.
echo NOTE: Installing CPU version. For GPU support, run:
echo pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cu121
echo.
python -m pip install torch
echo.
REM Install PyTorch Geometric
echo Installing PyTorch Geometric (Graph Neural Networks)...
python -m pip install torch-geometric
echo.
REM Install TensorBoard
echo Installing TensorBoard...
python -m pip install tensorboard
echo.
REM Verify installation
echo.
echo ============================================================================
echo Verifying installation...
echo ============================================================================
echo.
python -c "import numpy; import optuna; import torch; import torch_geometric; print('All core imports OK!')"
if errorlevel 1 (
echo.
echo WARNING: Some packages may not have installed correctly
echo Please check the error messages above
) else (
echo.
echo ============================================================================
echo INSTALLATION COMPLETE!
echo ============================================================================
echo.
echo Atomizer is ready to use.
echo.
echo To train a neural network:
echo train_neural.bat
echo.
echo To run an optimization study:
echo cd studies\your_study
echo python run_optimization.py --run --trials 100
echo.
)
pause