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pyproject.toml
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pyproject.toml
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[project]
name = "dyson"
description = "Dyson equation solvers for electron propagator methods"
keywords = [
"quantum", "chemistry",
"electronic", "structure",
"dyson", "equation", "solver",
"electron", "propagator",
"self", "energy",
"greens", "function",
]
readme = "README.md"
requires-python = ">=3.8"
classifiers = [
"Development Status :: 2 - Pre-Alpha",
"Intended Audience :: Science/Research",
"Intended Audience :: Developers",
"Topic :: Scientific/Engineering",
"Topic :: Software Development",
"Programming Language :: Python",
"Programming Language :: Python :: 3.7",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Operating System :: MacOS :: MacOS X",
"Operating System :: POSIX :: Linux",
]
dependencies = [
"numpy>=1.19.0",
"pyscf>=2.0.0",
]
dynamic = [
"version",
]
[tools.setuptools.dynamic]
version = {attr = "dyson.__version__"}
[build-system]
requires = [
"setuptools>=46.1.0",
]
build-backend = "setuptools.build_meta"
[project.optional-dependencies]
dev = [
"black>=22.6.0",
"isort>=5.10.1",
"coverage[toml]",
"pytest",
"pytest-cov",
]
[tool.black]
line-length = 100
target-version = [
"py311",
]
include = "dyson"
exclude = """
/(
| __pycache__
| .git
)/
"""
[tool.isort]
atomic = true
profile = "black"
line_length = 100
src_paths = [
"dyson",
]
skip_glob = [
"*__pycache__*",
"*__init__*",
]
[tool.coverage.run]
branch = true
source = [
"dyson",
]
[tool.coverage.report]
exclude_lines = [
"pragma: no cover",
"def __repr__",
"def __str__",
"raise NotImplementedError",
"raise util.ModelNotImplemented",
"if __name__ == .__main__.:",
]
[tool.coverage.html]
directory = "cov_html"
[tool.pytest.ini_options]
addopts = "-m 'not slow'"
testpaths = [
"tests",
]
markers = [
"slow",
"reference",
"regression",
]