pyproject.toml

[project]
name='mzspeclib'
version='1.1.0'
description='HUPO-PSI Spectral library format'

keywords = [
    "mass spectrometry",
    "spectral library",
]

license.file = "docs/LICENSE.txt"

requires-python = ">= 3.8"

classifiers=[
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3 :: Only",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Development Status :: 3 - Alpha"
]

dependencies = [
    "sqlalchemy",
    "click",
    "psims >= 1.3.4",
    "pyteomics >= 4.5.3",
    "mzpaf"
]

authors = [
    { name = "Joshua Klein", email="mobiusklein@gmail.com" },
    { name = "Ralf Gabriels", email="ralf@gabriels.dev" },
    { name = "Eric W Deutsch", email="edeutsch@systemsbiology.org" }
]

readme = "README.md"

[project.optional-dependencies]

test = [
    "jsonschema"
]

docs = [
    "sphinx",
    "sphinx-rtd-theme",
    "numpydoc>=1,<2",
    "sphinx_click",
    "myst-parser",
    "sphinx-autobuild",
]

[project.scripts]
mzspeclib = "mzspeclib.tools.cli:main"

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

[tool.setuptools.packages]
find = {}

[tool.ruff]
target-version = "py38"
line-length = 120
select = ["D"]
ignore = ["D415", "D400", "D212", "D205", "D203", "D105"]

[tool.ruff.pydocstyle]
convention = "numpy"