pyproject.toml

[project]
name = "equistore"
dynamic = ["version", "authors", "dependencies"]
requires-python = ">=3.7"

readme = "README.rst"
license = {text = "BSD-3-Clause"}
description = "A specialized data storage format suited to atomistic machine learning needs and more"

keywords = ["machine learning", "molecular modeling"]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: BSD License",
    "Operating System :: POSIX",
    "Operating System :: MacOS :: MacOS X",
    "Operating System :: Microsoft :: Windows",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Software Development :: Libraries",
    "Topic :: Software Development :: Libraries :: Python Modules",
]

[project.urls]
homepage = "https://lab-cosmo.github.io/equistore/latest/"
documentation = "https://lab-cosmo.github.io/equistore/latest/"
repository = "https://github.com/lab-cosmo/equistore"
# changelog = "https://github.com/lab-cosmo/equistore/blob/master/CHANGELOG.rst"

### ======================================================================== ###

[build-system]
requires = [
    "setuptools >=61",
    "wheel >=0.38",
]
build-backend = "setuptools.build_meta"

[tool.setuptools]
zip-safe = true

[tool.setuptools.packages.find]
where = ["python/equistore"]
include = ["equistore*"]
namespaces = false

### ======================================================================== ###

[tool.isort]
skip = "__init__.py"
profile = "black"
line_length = 88
indent = 4
include_trailing_comma = true
lines_after_imports = 2
known_first_party = "equistore"