[build-system]
requires = ["setuptools>=68.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "labmate-mcp"
version = "7.3.0"
description = "Your AI lab companion — 78 MCP tools from literature search to benchwork to publication"
readme = "README.md"
license = {text = "MIT"}
requires-python = ">=3.10"
authors = [
    {name = "Jonas Rackl"},
]
keywords = [
    # Core
    "mcp", "model-context-protocol", "claude", "anthropic", "ai-assistant",
    "chemistry", "research", "scientific-tools",
    # Literature
    "literature-search", "crossref", "openalex", "semantic-scholar",
    "bibtex", "citation", "bibliography",
    # Compound data
    "pubchem", "cas", "nist", "thermochemistry", "mass-spectrometry",
    "crystal-structures", "materials-project", "protein-structures", "pdb",
    # Computational
    "retrosynthesis", "rxn4chemistry", "pka", "admet", "solubility",
    "nmr-prediction", "computational-chemistry", "rowan",
    # Peptide
    "peptide", "peptide-design", "isoelectric-point", "spps",
    # Bench
    "named-reactions", "protecting-groups", "molarity", "dilution",
    "tlc", "chromatography", "bench-chemistry", "workup",
    "isotope-pattern", "cas-validation", "unit-conversion",
    "buffer-recipes", "amino-acids", "nmr-solvents", "periodic-table",
    # Writing
    "citation-formatting", "journal-guides", "thesis-writing",
    "experimental-templates", "supporting-information",
    "iupac-nomenclature", "molecular-formula",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "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",
    "Programming Language :: Python :: 3.13",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Information Analysis",
]
dependencies = [
    "mcp[cli]>=1.0.0",
    "httpx>=0.27.0",
    "pydantic>=2.0.0",
    "p2smi>=1.1.0",
    "pichemist>=2.1.0",
]

[project.optional-dependencies]
rowan = ["rowan-python>=2.0.0"]

[project.urls]
Homepage = "https://github.com/JonasRackl/labmate-mcp"
Repository = "https://github.com/JonasRackl/labmate-mcp"
Issues = "https://github.com/JonasRackl/labmate-mcp/issues"
Changelog = "https://github.com/JonasRackl/labmate-mcp/blob/main/CHANGELOG.md"

[project.scripts]
labmate-mcp = "labmate_mcp.__main__:main"

[tool.setuptools.packages.find]
include = ["labmate_mcp*"]