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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["flit_core >=3.2,<4"]
build-backend = "flit_core.buildapi"
[project]
name = "easy_molecule_generator"
authors = [
{"name" = "Matthew R. Carbone", "email" = "[email protected]"}
]
maintainers = [
{"name" = "Matthew R. Carbone", "email" = "[email protected]"}
]
description = "Easy utility for generating molecules"
readme = "README.md"
requires-python = ">=3.9"
license = {"file" = "LICENSE"}
classifiers = [
"Development Status :: 2 - Pre-Alpha",
"Natural Language :: English",
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3",
"Topic :: Scientific/Engineering",
"Intended Audience :: Developers",
"Intended Audience :: Education",
"Intended Audience :: Science/Research",
]
dependencies = ["rdkit"]
# Dynamic version reads __version__ directly from my_package.__init__
dynamic = ["version"]
# [tool.flit.sdist]
# exclude = [
# "easy_molecule_generator/_tests",
# "docs"
# ]
# [project.optional-dependencies]
# test = [
# "coverage",
# "flake8",
# "pytest",
# "pytest-cov",
# "black",
# "nbstripout",
# "pre-commit",
# ]
# doc = [
# "sphinx",
# "numpydoc",
# "sphinx-copybutton",
# "sphinx_rtd_theme",
# "ipython",
# "matplotlib"
# ]
[tool.setuptools]
packages = ["easy_molecule_generator"]
# [project.scripts]
# cr = "easy_molecule_generator.entrypoint:entrypoint"
[tool.black]
line-length = 80
include = '\.pyi?$'
exclude = '''
/(
| \.git
| \.hg
| \.mypy_cache
| \.tox
| \.venv
| _build
| buck-out
| build
| dist
| docs/source/conf.py
)/
'''