pyproject.toml

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

[project]
name = "T3"
dynamic = ["version"]
description = "The Tandem Tool (T3) for automated chemical kinetic model development"
readme = "README.md"
requires-python = ">=3.14"
dependencies = [
    "pydantic",
    "pyyaml",
]

[tool.setuptools.dynamic]
version = {attr = "t3.version.__version__"}

[tool.setuptools.packages.find]
where = ["."]
include = ["t3*"]

[tool.ruff]
target-version = "py314"
line-length = 120
exclude = [
    "tests/data",
    "tests/test_simulate/data",
    "ipython/simulator_adapter_examples/*_data",
]

[tool.ruff.lint]
select = ["E", "F", "W"]
ignore = [
    "E501",   # line too long — enforced at 120 by formatter, not linter
    "E741",   # ambiguous variable name — common in scientific code (e.g., `l` for length)
    "W293",   # blank line contains whitespace
    "W291",   # trailing whitespace
]

[tool.pytest.ini_options]
filterwarnings = [
    "ignore::DeprecationWarning",
    "ignore::PendingDeprecationWarning",
]
markers = [
    "slow: an end-to-end test that shells out to the real Arkane explorer in rmg_env (~30s); runs in the normal suite where rmg_env is available, deselect with '-m \"not slow\"'.",
]

[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]  # unused imports in __init__.py are re-exports
"t3/runners/rmg_incore_sa.py" = ["E701"]  # subprocess script, compact one-liners are fine
# RMG/Arkane network files are data in Python syntax: `species()`, `network()` and
# `pressureDependence()` are injected by the parser's exec namespace, never imported, so every
# call site reads as an undefined name. The copies under tests/data are covered by `exclude`
# above; these are the ones that ship as runnable examples.
"examples/**/network_*.py" = ["F821"]