cmbagent/pyproject.toml at main · acceleratescience/cmbagent · GitHub

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[build-system]
requires = [
    "setuptools>=42",
    "wheel",
    "Cython>=0.29.21",
    "setuptools_scm"
]
build-backend = "setuptools.build_meta"

[project]
version = "0.0.1post64"
name = "cmbagent"
maintainers = [{name = "CMBAgents", email = "boris.bolliet@cmbagent.community"}]
description = "Autonomous research system for scientific discovery across domains, powered by ag2"
readme = {file = "README.md", content-type = "text/markdown"}
requires-python = ">=3.12"
license = "Apache-2.0"

# Core dependencies - orchestration only
# Note: Scientific packages (numpy, scipy, etc.) are NOT required here
# because code execution happens on the client via remote executor
dependencies = [
    # LLM clients
    "anthropic",
    "mistralai",

    # AG2 framework for multi-agent orchestration
    "cmbagent_autogen>=0.0.91post11",

    # Utilities
    "ruamel.yaml",
    "jsonref==1.1.0",
    "pandas>=2.2",
    "pydantic>=2.7.4",
    "aiohttp>=3.9.0",
    "ipython",
]

[project.optional-dependencies]
# Development and testing
dev = [
    "pytest",
    "ipython",
    "jupyterlab",
    "ipykernel>=6.29.0",
]

# Jupyter notebook dependencies
jupyter = [
    "jupyter-kernel-gateway",
    "jupyter-client>=8.6.0",
]

# Local execution - install these if running code locally (not via frontend)
# The frontend installs packages on-demand via the installer agent
local = [
    "numpy>=1.24",
    "scipy>=1.12",
    "matplotlib>=3.8",
    "scikit-learn>=1.4",
]

# Material sciences dependencies
materials = [
    "pymatgen>=2024.1",
    "ase>=3.22",
    "phonopy>=2.20",
    "matminer>=0.9",
]

# Biochemistry and molecular sciences dependencies
biochem = [
    "biopython>=1.83",
    "rdkit>=2023.9",
    "mdanalysis>=2.6",
    "prody>=2.4",
]

# Astronomy/astrophysics dependencies
astro = [
    "camb>=1.6.0",
    "astropy>=6.0",
    "healpy>=1.16",
    "emcee>=3.1",
    "cobaya",
]

# Data science, statistics and visualization dependencies
data = [
    "scipy>=1.12",
    "xarray>=2024.3",
    "h5py>=3.10",
    "scikit-learn>=1.4",
    "statsmodels>=0.14",
    "linearmodels>=5.1",
    "matplotlib>=3.8",
    "seaborn>=0.13",
    "plotly>=5.21",
    "xgboost>=2.0",
    "yfinance>=0.2",
]

# All scientific packages (for local execution with full capabilities)
all = [
    "cmbagent[local]",
    "cmbagent[materials]",
    "cmbagent[biochem]",
    "cmbagent[astro]",
    "cmbagent[data]",
    "cmbagent[dev]",
]

[tool.setuptools.package-data]
cmbagent = [
  "cmbagent/apis/*.json",
  "cmbagent/assistants/*.yaml",
  "cmbagent/planner/*.yaml",
  "cmbagent/engineer/*.yaml",
  "cmbagent/executor/*.yaml",
  "cmbagent/admin/*.yaml",
  "logo.png"
]

[project.urls]
Homepage = "https://github.com/CMBAgents/cmbagent"
GitHub = "https://github.com/CMBAgents/cmbagent"


[tool.setuptools.packages.find]
include = ["cmbagent", "cmbagent.*"]

[tool.pytest.ini_options]
testpaths = ["tests"]
norecursedirs = ["legacy", ".ipynb_checkpoints"]