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pyproject.toml
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pyproject.toml
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[build-system]
requires = ["setuptools>=45", "setuptools_scm[toml]>=6.2", "wheel"]
build-backend = "setuptools.build_meta"
###############################################################################
# Project
###############################################################################
[project]
name = "spgrep_modulation"
dynamic = ["version"]
description = "Collective atomic modulation analysis with irreducible space-group representation"
readme = "README.md"
authors = [
{name = "Kohei Shinohara", email = "[email protected]"},
]
requires-python = ">=3.8.0"
license = {file = "LICENSE"}
classifiers = [
# Full list: https://pypi.python.org/pypi?%3Aaction=list_classifiers
"Development Status :: 2 - Pre-Alpha",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: BSD License",
"Operating System :: OS Independent",
"Programming Language :: Python",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Topic :: Scientific/Engineering :: Physics",
]
dependencies = [
"setuptools",
"setuptools_scm",
"wheel",
"typing_extensions",
"numpy>=1.20.1",
"spglib>=2.0.2",
"phonopy>=2.15.1",
"seekpath",
"spgrep>=0.3.3", # https://github.com/spglib/spgrep
"hsnf>=0.3.15", # https://github.com/lan496/hsnf
]
[project.urls]
repository = "https://github.com/lan496/spgrep-modulation"
homepage = "https://phonopy.github.io/spgrep-modulation"
documentation = "https://phonopy.github.io/spgrep-modulation"
changelog = "https://phonopy.github.io/spgrep-modulation/changelog.html"
[project.optional-dependencies]
vis = [
"ipykernel",
"notebook>=4.2",
# nglview does not work with ipywidgets>=8, https://github.com/nglviewer/nglview/issues/1032
"ipywidgets>=7.0, <8",
"nglview>=3.0.3",
"ase>=3.22.1",
"pymatgen>=2022.8.23",
]
dev = [
"pytest",
"pytest-cov",
"pre-commit",
"black",
"mypy",
"flake8",
"pyupgrade",
"ipython",
"click",
"networkx",
]
docs = [
# We cannot update sphinx to >6 until docutils==0.20 is released: https://github.com/mcmtroffaes/sphinxcontrib-bibtex/issues/322
"docutils==0.17",
"sphinx<6",
"sphinx-autobuild",
"nbsphinx",
"sphinxcontrib-bibtex",
# "sphinx-proof", # Seems to be incompatible with nbsphinx
"myst-parser",
"sphinx-book-theme",
]
###############################################################################
# Setuptools
###############################################################################
[tool.setuptools]
zip-safe = false
###############################################################################
# Other tools
###############################################################################
# Enable version inference
[tool.setuptools_scm]
[tool.pytest.ini_options]
testpaths = ["tests"]
[tool.black]
line-length = 99
target-version = ['py38', 'py39', 'py310']
include = '\.pyi?$'
exclude = '''
/(
\.eggs
| \.git
| \.hg
| \.mypy_cache
| \.tox
| \.venv
| _build
| buck-out
| build
| dist
| docs
)/
'''
[tool.mypy]
exclude = [
'docs',
]
warn_no_return = false