pyproject.toml

[build-system]
requires = ["pdm-backend"]
build-backend = "pdm.backend"

[project]
name = "chemex"
description = "An analysis program for chemical exchange detected by NMR"
authors = [
    { name = "Guillaume Bouvignies", email = "guillaume.bouvignies@ens.psl.eu" },
]
dependencies = [
    "numpy>=1.26.4",
    "scipy>=1.13.0",
    "matplotlib>=3.8.4",
    "lmfit>=1.2.2",
    "pydantic>=2.6.4",
    "cachetools>=5.3.3",
    "rich>=13.7.1",
    "rapidfuzz>=3.7.0",
    "emcee>=3.1.4",
    "numdifftools>=0.9.41",
    "annotated-types>=0.6.0",
]
requires-python = ">=3.11,<3.13"
readme = "README.md"
license = { text = "GPL-3.0-or-later" }
dynamic = ["version"]

[project.urls]
Homepage = "http://gbouvignies.github.io/ChemEx/"
Documentation = "http://gbouvignies.github.io/ChemEx/"
Repository = "https://github.com/gbouvignies/chemex"
Changelog = "https://github.com/gbouvignies/chemex/releases"

[project.scripts]
chemex = "chemex.chemex:main"

[tool.pdm.version]
source = "scm"

[tool.pdm.dev-dependencies]
test = ["pytest>=7.4.3"]
lint = ["ruff>=0.1.3"]

[tool.ruff]
select = ["ALL"]
ignore = [
    "ANN101",
    "ANN102",
    "COM812",
    "ISC001",
    "TCH001",
    "TCH002",
    "TCH003",
    "D100",
    "D101",
    "D102",
    "D103",
    "D104",
    "D105",
    "D107",
    "S311",
]

[tool.ruff.isort]
known-first-party = ["chemex"]

[tool.ruff.lint.pydocstyle]
convention = "google"

[tool.pyright]
venvPath = "."
venv = ".venv"