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pyproject.toml
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[build-system]
requires = ["setuptools>=45", "setuptools_scm>=6.2"]
build-backend = "setuptools.build_meta"
[tool.setuptools_scm]
write_to = "larixite/version.py"
version_scheme = "post-release"
[tool.setuptools.packages.find]
include = ["larixite"]
[project]
name = "larixite"
dynamic = ["version"]
requires-python = ">= 3.9"
description = "convert CIF data to inputs for XAS calculations Feff, FDMNES, etc"
readme = "README.md"
authors = [
{name = "Matthew Newville", email = "[email protected]"},
{name = "Mauro Rovezzi", email = "[email protected]"}
]
dependencies = [
"xraydb",
"sqlalchemy>=2",
"pymatgen",
"pyshortcuts",
]
license = {file = "LICENSE"}
keywords = ["X-ray spectroscopy", "Crystallography"]
classifiers = [
"Development Status :: 5 - Production/Stable",
"Intended Audience :: Developers",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
]
[project.urls]
Homepage = " https://github.com/xraypy/larixite"
Documentation = "https://xraypy.github.io/larixite"
Tracker = "https://github.com/xraypy/larixite/issues"
[project.optional-dependencies]
web = ["flask"]
test = ["pytest"]
doc = ["sphinx"]
dev = ["build", "twine"]
all = ["larixite[dev,web,test,doc]"]