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pyproject.toml
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pyproject.toml
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[project]
name = "mlelec"
version = "0.0.0"
authors = [
# TODO
]
readme = "README.md"
# license = TODO
description = "TODO"
requires-python = ">=3.7"
dependencies = [
"pyscf >= 2.3.0",
"metatensor",
"rascaline@git+https://github.com/Luthaf/rascaline.git",
"wigners",
"torch",
"scikit-learn",
"numpy",
"hickle",
"tqdm",
"ase == 3.22.1"
]
keywords = [] # TODO
classifiers = [
# TODO
]
[project.urls]
# homepage = TODO
# documentation = TODO
# repository = TODO
# changelog = TODO
### ======================================================================== ###
[build-system]
requires = [
"setuptools",
]
build-backend = "setuptools.build_meta"
### ======================================================================== ###
[tool.isort]
profile = "black"
line_length = 88
indent = 4
include_trailing_comma = true
lines_after_imports = 2
known_first_party = "mlelec"