mirror of https://github.com/phonopy/phonopy.git
81 lines
2.3 KiB
TOML
81 lines
2.3 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",
|
|
]
|
|
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"
|
|
|
|
[tool.sciki-build]
|
|
cmake.verbose = true
|
|
logging.level = "INFO"
|
|
|
|
[tool.scikit-build]
|
|
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"
|