[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"
[project]
name = "rowan-mcp"
version = "2.3.2"
description = "Model Context Protocol server for Rowan computational chemistry platform"
authors = [
{name = "Katherine Yenko", email = "katherineayenko@gmail.com"}
]
license = {text = "MIT"}
readme = "README.md"
requires-python = ">=3.11"
urls = {Homepage = "https://github.com/k-yenko/rowan-mcp"}
classifiers = [
"Development Status :: 3 - Alpha",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering :: Chemistry",
]
dependencies = [
"fastmcp>=2.11.3",
"rowan-python>=2.1.9",
"stjames>=0.0.125",
"pydantic>=2.0.0",
"typing-extensions>=4.0.0",
"uvicorn>=0.24.0",
"fastapi>=0.104.0",
"python-dotenv>=1.0.0",
"pubchempy>=1.0.4",
"rdkit>=2025.3.2",
"aiohttp>=3.12.15",
"openai>=1.107.2",
"httpx>=0.25.0",
"mcp>=1.0.0",
]
[project.optional-dependencies]
dev = [
"pytest>=7.0.0",
"black>=23.0.0",
"isort>=5.0.0",
"mypy>=1.0.0",
]
[project.scripts]
rowan-mcp = "rowan_mcp.server:main"
[tool.hatch.build.targets.wheel]
packages = ["rowan_mcp"]
[tool.hatch.build.targets.sdist]
exclude = [
"rowan-dxt/",
"dxt/",
"*.log",
"test_*.py",
".venv/",
"*.dxt"
]
[tool.black]
line-length = 88
target-version = ['py38']
[tool.isort]
profile = "black"
multi_line_output = 3
[tool.mypy]
python_version = "3.8"
warn_return_any = true
warn_unused_configs = true
disallow_untyped_defs = true
