Files
Atomizer/environment.yml
Anto01 e3bdb08a22 feat: Major update with validators, skills, dashboard, and docs reorganization
- Add validation framework (config, model, results, study validators)
- Add Claude Code skills (create-study, run-optimization, generate-report,
  troubleshoot, analyze-model)
- Add Atomizer Dashboard (React frontend + FastAPI backend)
- Reorganize docs into structured directories (00-09)
- Add neural surrogate modules and training infrastructure
- Add multi-objective optimization support

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

Co-Authored-By: Claude <noreply@anthropic.com>
2025-11-25 19:23:58 -05:00

90 lines
3.0 KiB
YAML

# Atomizer Conda Environment
# ===========================
#
# Complete environment for Atomizer FEA optimization framework
# Includes: Core optimization, NX/Nastran integration, Neural surrogates (AtomizerField)
#
# Installation:
# conda env create -f environment.yml
# conda activate atomizer
#
# Update existing environment:
# conda env update -f environment.yml --prune
name: atomizer
channels:
- pytorch
- conda-forge
- defaults
dependencies:
# Python version (compatible with NX 2412)
- python=3.11
# ============================================================================
# Core Scientific Computing
# ============================================================================
# numpy<2 required for pyNastran compatibility
- numpy>=1.24.0,<2.0.0
- scipy>=1.10.0
- pandas>=2.0.0
- scikit-learn>=1.3.0
# ============================================================================
# Optimization Framework
# ============================================================================
- optuna>=3.5.0
- plotly>=5.18.0
- matplotlib>=3.5.0
# ============================================================================
# FEA/Nastran Parsing
# ============================================================================
- h5py>=3.0.0
- pip
# ============================================================================
# Web Framework (Dashboard/API)
# ============================================================================
- fastapi>=0.109.0
- uvicorn>=0.27.0
- websockets>=12.0
- pydantic>=2.5.0
- jinja2>=3.1.3
# ============================================================================
# System Utilities
# ============================================================================
- psutil>=5.9.0
- tqdm>=4.65.0
# ============================================================================
# Development Tools
# ============================================================================
- pytest>=7.4.0
- pytest-cov>=4.1.0
# ============================================================================
# pip-only packages (not available in conda)
# ============================================================================
- pip:
# Nastran file parser (numpy<2 constraint is handled above)
- pyNastran>=1.4.0,<1.5.0
# Python-multipart for FastAPI file uploads
- python-multipart>=0.0.6
# ============================================================================
# Post-installation notes:
# ============================================================================
#
# 1. Verify installation:
# python -c "import optuna; import pyNastran; print('All imports OK')"
#
# 2. For NX integration, ensure NX Python stubs are accessible:
# See config.py for NX_PYTHON_STUBS path
#
# 3. For AtomizerField neural surrogates, install PyTorch and torch-geometric separately:
# conda install pytorch pytorch-cuda=12.1 -c pytorch -c nvidia
# pip install torch-geometric tensorboard