helicon/environment.yml at main · Lulzx/helicon · GitHub

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# Helicon conda environment
#
# Create: conda env create -f environment.yml
# Activate: conda activate helicon
#
# For Apple Silicon (MLX acceleration):
#   pip install mlx  # after conda env create
#
# For NVIDIA/CUDA (WarpX GPU + botorch):
#   conda env create -f environment.yml
#   pip install torch --index-url https://download.pytorch.org/whl/cu121
#   pip install botorch

name: helicon
channels:
  - conda-forge
  - defaults

dependencies:
  - python=3.12
  - pip

  # Core numerical stack
  - numpy>=1.24
  - scipy>=1.10
  - h5py>=3.8

  # Config and CLI
  - pydantic>=2.0
  - pyyaml>=6.0
  - click>=8.0

  # Optimization
  - scikit-learn>=1.3

  # Testing
  - pytest>=7.0
  - pytest-cov

  # Development
  - ruff
  - ipykernel
  - jupyter

  # Visualization
  - matplotlib
  - ipympl

  # pip-only packages
  - pip:
    - helicon
    # MLX (Apple Silicon only — install separately)
    # - mlx>=0.10
    # WarpX (install from pre-built wheel or source)
    # - pywarpx
    # BoTorch for Bayesian optimization (GPU optional)
    # - botorch>=0.9