pyproject.toml

[build-system]
requires = ["setuptools>=64"]
build-backend = "setuptools.build_meta"

[project]
name = "chemplot"
version = "1.3.1"
authors = [
    { name = "Murat Cihan Sorkun", email = "mcsorkun@gmail.com" },
    { name = "Dajt Mullaj", email = "dajt.mullai@gmail.com" },
    { name = "Jackson Warner Burns", email = "jwburns@mit.edu" },
]
license = { text = "BSD" }
description = "A python library for chemical space visualization."
classifiers = [
    "Intended Audience :: Science/Research",
    "Intended Audience :: Developers",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "License :: OSI Approved :: BSD License",
    "Operating System :: OS Independent",
    "Natural Language :: English",
    "Topic :: Scientific/Engineering",
]
urls = { Homepage = "https://github.com/mcsorkun/ChemPlot" }
requires-python = ">=3.8"
dependencies = [
	"pandas",
	"numpy",
	"matplotlib",
	"seaborn",
	"umap-learn",
	"scikit-learn",
	"bokeh>=3,<4",
	"scipy",
    "rdkit",
	"mordredcommunity",
    "networkx",
]

[project.optional-dependencies]
test = ["pytest", "pytest-cov"]

[project.readme]
file = "README.md"
content-type = "text/markdown"

[tool.setuptools]
include-package-data = true

[tool.setuptools.packages.find]
where = ["."]
include = ["chemplot*"]
exclude = ["docs*", "notebooks*", "performance_tests*"]

[tool.black]
line-length = 150
required-version = "23"

[tool.isort]
profile = "black"