pyproject.toml

# important: install in editable mode
[build-system]
requires = [
    "hatchling>=1.20",        # build backend
    "hatch-requirements-txt", # plugin, to parse requirements.txt
]
build-backend = "hatchling.build"


[project]
name = "chai_lab"
description = "Chai Discovery tools for AI + protein research."
requires-python = ">=3.10"
authors = [{ name = "Chai Discovery" }]
# see both defined below
dynamic = ["version", "dependencies"]

[tool.hatch.version]
path = "chai_lab/__init__.py"
[tool.hatch.metadata.hooks.requirements_txt]
files = ["requirements.in"]
[tool.hatch.metadata]
allow-direct-references = true

[tool.mypy]
check_untyped_defs = true

# Ignore missing imports for packages with missing type stubs
[[tool.mypy.overrides]]
module = [
    "anarci.*",
    "fsspec.*",
    "google.*",
    "joblib.*",
    "needletail.*",
    "numba.*",
    "pyximport.*",
    "rdkit.*",
    "scipy.*",
    "seaborn.*",
    "sh.*",
    "tmtools.*",
    "botocore.*",
    "s3fs.*",
    "biotite.*",
    "DockQ.*",
    "boto3.*",
    "transformers.*",
    "modelcif.*",
    "ihm.*",
]
ignore_missing_imports = true

[tool.pytest.ini_options]
cache_dir = "/tmp/.common_pytest_cache"


[tool.hatch.build.targets.sdist]
exclude = [
    "/.devcontainer",
    "/.github",
    "/.idea",
    "/.vscode",
    "/.pytest_cache",
    "/assets",
    "/downloads",
    "/outputs",
]

[tool.hatch.build.targets.wheel]
# should use packages from sdist section

[project.scripts]
chai = "chai_lab.main:cli"