pyproject.toml

[tool.pdm]

[tool.pdm.dev-dependencies]
test = [
    "pytest>=7.3.1",
    "pytest-cov>=4.0.0",
    "coverage>=7.2.5",
]
docs = [
    "sphinx>=6.2.1",
    "sphinx-rtd-theme>=1.2.0",
]
lint = [
    "ruff>=0.0.264",
    "mypy>=1.2.0",
]

[tool.pdm.scripts]
lint = {composite = ["ruff check nonrad", "mypy nonrad"]}
test = "pytest -v nonrad"
all = {composite = ["lint", "test"]}

[project]
name = "nonrad"
version = "1.2.0"
description = "Implementation for computing nonradiative recombination rates in semiconductors"
authors = [
    {name = "Mark E. Turiansky", email = "mturiansky@ucsb.edu"},
]
requires-python = ">=3.9"
readme = "README.md"
license = {text = "MIT"}
keywords = [
    "physics",
    "materials",
    "science",
    "VASP",
    "recombination",
    "Shockley-Read-Hall",
]
classifiers=[
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
]
dependencies = [
    "numpy>=1.24.3",
    "scipy>=1.9.3",
    "pymatgen>=2023.3.23",
    "monty>=2023.4.10",
    "numba>=0.57.0",
    "mpmath>=1.3.0",
]

[project.urls]
documentation = "https://nonrad.readthedocs.io"
repository = "https://github.com/mturiansky/nonrad"

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

[tool.ruff]
lint.select = [
    "F",
    "E",
    "W",
    "I",
    "UP",
    "B",
    "A",
    "NPY",
    "PL",
]
lint.ignore = [
    "PLR",
]
extend-exclude = ["docs"]

[tool.mypy]
ignore_missing_imports = "True"
plugins = "numpy.typing.mypy_plugin"