CSSlib/pyproject.toml at main · AIRI-Institute/CSSlib · GitHub

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[project]
name = "csslib"
version = "1.0.1"
authors = [
  { name="A.V. Krautsou" },
]
readme = "README.md"
description = "CSSlib is an open-source code for building configuration search space (CSS) of disordered crystals."
requires-python = ">=3.10, <3.14"
classifiers = [
    "Programming Language :: Python :: 3",
    "Operating System :: OS Independent",
]
dependencies = [
    "jupyter >=1.0.0, <= 1.1.1",
    "matplotlib >=3.10.7, <= 3.10.8",
    "numpy >=1.26.4, <= 2.4.2",
    "pandas >=2.3.2, < 3.0",
    "plotly >=6.3.1, <= 6.5.2",
    "pydantic >=2.12.5",
    "pymatgen ==2025.6.14",
    "pymatgen-analysis-defects ==2025.1.18",
    "scipy >=1.15.3, <1.17.1",
    "tqdm >=4.67.1, <= 4.67.3",
    "networkx >=3.4.2, <= 3.6.1"
]

[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

# [tool.setuptools]
# packages = []

# [project.optional-dependencies]
# dev = [
#    "pytest",
#    "mypy",
#]