pyproject.toml

[build-system]
requires = [
    "hatchling",
    "jupyterlab==3.*",
]
build-backend = "hatchling.build"

[project]
name = "mols2grid"
description = "Interactive 2D small molecule viewer"
readme = "README.md"
requires-python = ">=3.7"
authors = [
    { name = "Cédric Bouysset", email = "cedric@bouysset.net" },
]
keywords = [
    "cheminformatics",
    "chemistry",
    "jupyter",
    "science",
    "widgets",
]
classifiers = [
    "Development Status :: 5 - Production/Stable",
    "Framework :: Jupyter",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: Apache Software License",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.7",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Topic :: Scientific/Engineering :: Chemistry",
]
dependencies = [
    "ipywidgets>=7,<8",
    "jinja2>=2.11.0",
    "numpy",
    "pandas",
]
dynamic = ["version"]

[project.license]
file = "LICENSE"

[project.optional-dependencies]
build = [
    "build",
]
tests = [
    "cairosvg==2.5.2",
    "flaky==3.7.0",
    "pyautogecko==0.1.3",
    "imagehash~=4.3",
    "ipython==7.12.0",
    "pytest-cov==2.12.1",
    "pytest==6.2.5",
    "selenium==4.10.0",
]
docs = [
    "mistune<3.0.0",
]
dev = [
    "mols2grid[build,tests,docs]",
]

[project.urls]
Homepage = "https://github.com/cbouy/mols2grid"
Documentation = "https://mols2grid.readthedocs.io/en/latest/"
Discussions = "https://github.com/cbouy/mols2grid/discussions"
Issues = "https://github.com/cbouy/mols2grid/issues"
Changelog = "https://github.com/cbouy/mols2grid/blob/master/CHANGELOG.md"

[tool.setuptools.dynamic]
version = { attr = "mols2grid._version.__version__" }

[tool.hatch.version]
path = "mols2grid/_version.py"

[tool.hatch.build]
artifacts = [
    "mols2grid/nbextension/index.*",
    "mols2grid/labextension",
]

[tool.hatch.build.targets.wheel.shared-data]
"mols2grid/nbextension" = "share/jupyter/nbextensions/mols2grid"
"mols2grid/labextension" = "share/jupyter/labextensions/mols2grid"
"./install.json" = "share/jupyter/labextensions/mols2grid/install.json"
"./mols2grid.json" = "etc/jupyter/nbconfig/notebook.d/mols2grid.json"

[tool.hatch.build.targets.sdist]
exclude = [
    ".github",
]

[tool.hatch.build.hooks.jupyter-builder]
ensured-targets = [
    "mols2grid/nbextension/index.js",
    "mols2grid/labextension/package.json",
]
skip-if-exists = [
    "mols2grid/nbextension/index.js",
    "mols2grid/labextension/package.json",
]
dependencies = [
    "hatch-jupyter-builder>=0.8.1",
]
build-function = "hatch_jupyter_builder.npm_builder"

[tool.hatch.build.hooks.jupyter-builder.build-kwargs]
path = "."
build_cmd = "build:prod"

[tool.black]
line-length = 88
extend-exclude = '''
(
  ^/docs/conf.py
)
'''

[tool.isort]
profile = "black"