pyproject.toml

[project]
name = "metabolic-modelling"
version = "0.1.0"
description = "Metabolic modelling to inform engineering efforts of microbes for UBC iGEM 2025 project."
readme = "README.md"
requires-python = ">=3.10"
dependencies = [
    "anthropic>=0.64.0",
    "ax-platform>=1.0.0",
    "cobra>=0.29.1",
    "escher>=1.8.1",
    "marimo>=0.14.12",
    "matplotlib>=3.10.3",
    "numpy>=2.2.6",
    "openai>=1.102.0",
    "pandas>=2.3.1",
    "pyarrow>=21.0.0",
    "scipy>=1.15.3",
    "streamlit>=1.49.1",
]

[project.optional-dependencies]
gpu = ["torch"]  # torch must be listed here to enable the conditional GPU source

[tool.uv.sources]
torch = [
  { index = "pytorch-cu128", extra = "gpu" },  # Only active with --extra gpu
]

[[tool.uv.index]]
name = "pytorch-cu128"
url = "https://download.pytorch.org/whl/cu128"  # Assumes CUDA 12.8; adjust as needed
explicit = true

[tool.marimo.runtime]
output_max_bytes = 10_000_000