pyproject.toml

[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "molopt-env"
version = "0.1.0"
description = "Molecule Optimization Environment for OpenEnv: iterative lead optimization for drug design"
requires-python = ">=3.10"
dependencies = [
    "openenv-core>=0.2.2",
    "fastapi>=0.115.0",
    "pydantic>=2.0.0",
    "uvicorn>=0.24.0",
    "requests>=2.31.0",
    "openai>=1.30.0",
    "python-dotenv>=1.0.0",
    "fastmcp",
    "rdkit>=2024.3.0",
]

[project.optional-dependencies]
dev = [
    "pytest>=8.0.0",
    "pytest-cov>=4.0.0",
]

[project.scripts]
server = "server.app:main"
molopt-server = "server.app:main"

[tool.setuptools]
include-package-data = true
packages = ["molopt_env", "molopt_env.server"]
package-dir = { "molopt_env" = ".", "molopt_env.server" = "server" }