pyproject.toml

[tool.black]
line-length = 100
target-version = ['py39']

[tool.isort]
profile = "black"
# default is FUTURE,STDLIB,THIRDPARTY,FIRSTPARTY,LOCALFOLDER
# Placing third-party imports at the end makes their inclusion more obvious
sections = ["FUTURE", "STDLIB", "FIRSTPARTY", "THIRDPARTY", "LOCALFOLDER"]

[tool.mypy]
warn_redundant_casts = true
warn_return_any = true
warn_unreachable = true

scripts_are_modules = true
warn_unused_configs = true

# Disallow dynamic typing
# disallow_any_unimported = true
# disallow_any_expr = true
# disallow_any_decorated = true
# disallow_any_explicit = true
# disallow_any_generics = true
# disallow_subclassing_any = true

# Untyped definitions and calls
disallow_untyped_calls = true
disallow_untyped_defs = true
disallow_incomplete_defs = true
# check_untyped_defs = true
disallow_untyped_decorators = true

# None and optional handling

# Configuring warnings
warn_unused_ignores = true
#warn_return_any = true
#warn_unreachable = true

# Miscellaneous
#warn_unused_configs = true

[[tool.mypy.overrides]]
module = [
    "Bio.PDB.Atom",
    "Bio.PDB.Superimposer",
    "PyQt4",
    "PyQuante.CGBF",
    "PyQuante.Molecule",
    "PyQuante.hartree_fock",
    "ase",
    "ase.calculators.calculator",
    "ase.calculators.emt",
    "ase.io.trajectory",
    "h5py",
    "horton",
    "horton.io.iodata",
    "iodata",
    "iodata.api",
    "iodata.orbitals",
    "openbabel",
    "openbabel.pybel",
    "periodictable",
    "psi4",
    "psi4.core",
    "pybel",
    "pyquante2",
    "pyscf",
    "pyvtk",
    "pyvtk.DataSetAttr",
    "scipy",
    "scipy.constants",
    "scipy.spatial",
    "scipy.spatial.transform",
    "skip",
    "test_data",
    "common",
]
ignore_missing_imports = true