pyproject.toml

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

[project]
name = "crystalatte"
dynamic = ["version"]
dependencies = [
    "pycifrw",
    "numpy",
]
requires-python = ">=3.8"
authors = [
    {name = "Carlos Borca", email = "carlosborca@gmail.com"},
]
description = "Automated calculation of crystal lattice energies with the many-body expansion"
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
    "Programming Language :: Python :: 3",
    "Intended Audience :: Science/Research",
    "Operating System :: POSIX :: Linux",
    "Operating System :: MacOS",
    "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
]

[project.optional-dependencies]
tests = [
    "pytest",
]

[project.scripts]
crystalatte = "crystalatte:cli"
psithonyzer = "psithonyzer:psz_process_args_and_run"

[project.urls]
"Homepage" = "https://github.com/carlosborca/CrystaLattE"
"Bug Tracker" = "https://github.com/carlosborca/CrystaLattE/issues"

[tool.setuptools.packages]
find = {}

[tool.coverage.run]
omit = ["*/tests/*"]

[tool.setuptools-git-versioning]
enabled = true
dev_template = "{tag}.{ccount}+git.{sha}"
dirty_template = "{tag}.{ccount}+git.{sha}.dirty"