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