phonopy/pyproject.toml

81 lines
2.4 KiB
TOML

[build-system]
requires = ["scikit-build-core", "nanobind", "numpy"]
build-backend = "scikit_build_core.build"
[project]
name = "phonopy"
dynamic = ["version"]
readme = { file = "README.md", content-type = "text/markdown" }
description = "This is the phonopy module."
authors = [{ name = "Atsushi Togo", email = "atztogo@gmail.com" }]
requires-python = ">=3.8"
dependencies = [
"numpy>=1.17.0",
"PyYAML>=5.3",
"matplotlib>=2.2.2",
"h5py>=3.0",
"spglib>=2.3",
"scipy"
]
license = { file = "LICENSE" }
[project.urls]
Homepage = "https://phonopy.github.io/phonopy/"
Repository = "https://github.com/phonopy/phonopy"
[project.optional-dependencies]
cp2k = ["cp2k-input-tools"]
seekpath = ["seekpath"]
symfc = ["symfc"]
pypolymlp = ["pypolymlp"]
tools = ["seekpath", "symfc", "pypolymlp"]
[project.scripts]
phonopy = "phonopy.scripts.phonopy:run"
phonopy-load = "phonopy.scripts.phonopy_load:run"
phonopy-bandplot = "phonopy.scripts.phonopy_bandplot:run"
phonopy-calc-convert = "phonopy.scripts.phonopy_calc_convert:run"
phonopy-crystal-born = "phonopy.scripts.phonopy_crystal_born:run"
phonopy-gruneisen = "phonopy.scripts.phonopy_gruneisen:run"
phonopy-gruneisenplot = "phonopy.scripts.phonopy_gruneisenplot:run"
phonopy-pdosplot = "phonopy.scripts.phonopy_pdosplot:run"
phonopy-propplot = "phonopy.scripts.phonopy_propplot:run"
phonopy-qha = "phonopy.scripts.phonopy_qha:run"
phonopy-tdplot = "phonopy.scripts.phonopy_tdplot:run"
phonopy-vasp-born = "phonopy.scripts.phonopy_vasp_born:run"
phonopy-vasp-efe = "phonopy.scripts.phonopy_vasp_efe:run"
phonopy-qe-born = "phonopy.scripts.phonopy_qe_born:run"
[tool.scikit-build]
cmake.verbose = true
logging.level = "INFO"
metadata.version.provider = "scikit_build_core.metadata.setuptools_scm"
sdist.exclude = ["*"]
sdist.include = ["test", "LICENSE", "c", "example", "phonopy", "pyproject.toml", "CMakeLists.txt", "README.md"]
[tool.scikit-build.cmake.define]
PHONOPY_USE_OMP = {env="PHONOPY_USE_OMP", default="ON"}
[tool.setuptools_scm]
write_to = "phonopy/_version.py"
[tool.ruff]
line-length = 88
lint.select = [
"F", # Flake8
"B", # Black
"I", # isort
"E", # pycodestyle-errors
"D", # pydocstyle
]
lint.extend-ignore = ["D417", "D100"]
exclude = [
"test/phonon/test_irreps.py",
"test/qha/test_electron.py",
"phonopy/interface/cp2k.py",
"cmake-format.py"
]
[tool.ruff.lint.pydocstyle]
convention = "numpy"