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pyproject.toml
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[build-system]
requires = ["pdm-backend"]
build-backend = "pdm.backend"
[project]
name = "wave-packet-dynamics"
description = "Simulation of quantum dynamics."
readme = "README.md"
requires-python = ">=3.11"
license = {text = "BSD-3-Clause"}
authors = [
{name = "Robert Grzonka", email = "robert.grzonka@fau.de"},
]
maintainers = [
{name = "Robert Grzonka", email = "robert.grzonka@fau.de"},
]
classifiers = [
"Development Status :: 4 - Beta",
"Intended Audience :: Education",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: BSD License",
"Natural Language :: English",
"Operating System :: OS Independent",
"Programming Language :: Python",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Scientific/Engineering :: Physics",
"Typing :: Typed",
]
dependencies = [
"numpy>=2.0.0",
"scipy>=1.14.0",
"matplotlib>=3.9.1",
"click>=8.1.7",
]
dynamic = ["version"]
[project.scripts]
wpd = "wave_packet_dynamics.cli:cli"
[project.urls]
Documentation = "https://wave-packet-dynamics.readthedocs.io"
Tracker = "https://github.com/Rastow/wave-packet-dynamics/issues"
Source = "https://github.com/Rastow/wave-packet-dynamics"
[tool.pdm]
distribution = true
version = {source = "file", path = "src/wave_packet_dynamics/__init__.py"}
[tool.pdm.build]
package-dir = "src"
[tool.pdm.dev-dependencies]
docs = [
"mkdocs>=1.6.0",
"mkdocs-material>=9.5.28",
"mkdocstrings[python]>=0.25.1",
"mkdocs-literate-nav>=0.6.1",
"mkdocs-section-index>=0.3.9",
"mkdocs-gen-files>=0.5.0",
"mkdocs-click>=0.8.1",
]
test = [
"pytest>=8.2.2",
"coverage>=7.5.4",
]
type = [
"mypy[reports]>=1.10.1",
"numpy>=2.0.0",
]
style = [
"ruff>=0.5.1",
]
[tool.pdm.scripts]
lint = "ruff check"
cov.composite = [
"coverage erase",
"coverage run -m pytest",
"coverage report"
]
docs = "mkdocs serve"
fmt = "ruff format"
test = "pytest"
type = "mypy"
[tool.coverage.run]
branch = true
source = ["src", "tests"]
[tool.coverage.report]
exclude_lines = [
"class .*\\bProtocol\\):",
"if __name__ == .__main__.:",
"if TYPE_CHECKING:",
"raise NotImplementedError",
]
precision = 2
show_missing = true
skip_covered = true
[tool.mypy]
files = ["src"]
ignore_missing_imports = true
python_version = "3.11"
strict = true
show_error_context = true
show_column_numbers = true
pretty = true
plugins = [
"numpy.typing.mypy_plugin",
]
[tool.pytest.ini_options]
addopts = [
"--doctest-modules",
"--import-mode=importlib",
"--strict-config",
"--strict-markers",
]
filterwarnings = [
"error",
]
pythonpath = "src"
testpaths = ["src", "tests"]
xfail_strict = true