pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "krotov"
dynamic = ["version"]
description = "Python implementation of Krotov's method for quantum optimal control"
readme = "README.md"
license = {file = "LICENSE"}
authors = [
  {name = "Michael Goerz", email = "mail@michaelgoerz.net"}
]
requires-python = ">=3.10"
classifiers = [
  "Development Status :: 5 - Production/Stable",
  "Intended Audience :: Education",
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: BSD License",
  "Natural Language :: English",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Framework :: Jupyter",
  "Operating System :: OS Independent",
  "Topic :: Scientific/Engineering",
  "Topic :: Scientific/Engineering :: Physics"
]
dependencies = [
  "glom",
  "numpy",
  "scipy",
  "qutip>=4.3.1,<5.0",
  "threadpoolctl",
  "grapheme"
]

[tool.hatch.version]
path = "src/krotov/__init__.py"

[project.urls]
Documentation = "https://qucontrol.github.io/krotov/"
Issues = "https://github.com/qucontrol/krotov/issues"
Source = "https://github.com/qucontrol/krotov"

[project.optional-dependencies]
dev = [
  "codecov",
  "coverage<5.0",
  "jupyter",
  "loky~=2.9",
  "pytest==7.4.4",
  "pytest-cov<=2.6.1",
  "pytest-xdist",
  "nbval==0.11.0",
  "weylchamber>=0.5.0",
  "ipython",
]
docs = [
  "pybtex==0.24.0",
  "gitpython==3.1.43",
  "better-apidoc==0.3.2",
  "docs-versions-menu==0.5.2",
  "sphinx==7.3.7",
  "sphinx-autobuild==2024.4.16",
  "sphinx-copybutton==0.5.2",
  "sphinx_rtd_theme==2.0.0",
  "sphinxcontrib-bibtex==2.6.2",
  "nbsphinx==0.9.4",
  "Jinja2==3.1.4",
  "docutils==0.20.1",
  "matplotlib==3.9.0",
  "watermark==2.4.3",
  "zip-files==0.4.1",
  "ipython",
]
lint = [
  'setuptools; python_version >= "3.12"',
  "flake8",
  "flake8-pyproject",
  "isort==4.3.*",
  "pylint~=2.6.0",
  "black==22.1.0",
  "click==8.0.4",
]

[tool.hatch.envs.default]
description = "Testing and other dev tasks (Python 3.12)"
features = [
    "dev",
    "docs",
    "lint",
]
python = "3.12"

[tool.hatch.envs.default.scripts]
test = "pytest -vvv --doctest-modules --nbval --nbval-cell-timeout=3000 --sanitize-with docs/nbval_sanitize.cfg --ignore docs/_build/ --ignore docs/conf.py --durations=10 -x -s {args:src tests docs}"
cov = "pytest -vvv --doctest-modules --cov=krotov --nbval --nbval-cell-timeout=3000 --sanitize-with docs/nbval_sanitize.cfg --ignore docs/_build/ --ignore docs/conf.py --durations=10 -x -s {args:src tests docs}"
cov-html = [
  "coverage html",
]


[tool.hatch.envs.docs]
description = "Generate the docs (Python 3.12)"
template = "docs"
features = [
  "dev",
  "docs",
]
python = "3.12"

[tool.hatch.envs.docs.scripts]
build = [
    """python -c 'import shutil; from pathlib import Path; shutil.rmtree(Path("docs")/ "notebooks" / ".ipynb_checkpoints", ignore_errors=True)'""",
    "sphinx-build -v -W -b html docs docs/_build/html -d docs/_build/doctree",
]
serve = "python -m http.server -d docs/_build/html"


[tool.hatch.envs.lint]
description = "Lint the code (Python 3.12)"
template = "lint"
features = ["lint"]
skip-install = true
python = "3.12"

[tool.hatch.envs.lint.scripts]
flake8 = "python -m flake8 {args:src tests}"
pylint = "python -m pylint -j 0 {args:src}"
black = "python -m black {args:src tests}"
black-check = "python -m black --check --diff {args:src tests}"
isort = "python -m isort --recursive {args:src tests}"
isort-check = "python -m isort --recursive --check-only --diff {args:src tests}"


[tool.hatch.envs.release]
description = "Release tools (Python 3.12)"
template = "release"
features = []
dependencies = [
  "click==8.0.4",
  "gitpython==3.1.43",
  "packaging==24.0",
  "pytest==7.4.4",
  "twine",
]
skip-install = true
python = "3.12"


[tool.hatch.envs.py310]
description = "Testing on Python 3.10"
features = []
dependencies = [
  "numpy",
  "scipy",
  "qutip",
  "krotov[dev]",
]
python = "3.10"

[tool.hatch.envs.py311]
description = "Testing on Python 3.11"
features = ["dev"]
python = "3.11"

[tool.hatch.envs.py312]
description = "Testing on Python 3.12"
features = ["dev"]
python = "3.12"

[tool.hatch.metadata]
allow-direct-references = true

[tool.flake8]
exclude = ["docs"]
max-line-length = 79
extend-ignore = [
    # See https://github.com/PyCQA/pycodestyle/issues/373
    "E203",
    # don't care about "ambiguous variable names"
    "E741",
    # when I use lambdas, I know what I'm doing
    "E731",
]

[tool.pytest.ini_options]
collect_ignore = ["setup.py"]

[tool.rstcheck]
ignore_directives = ["doctest"]
ignore_messages = ["Hyperlink target \"[^\"]+\" is not referenced\\.$"]
ignore_roles = ["cite"]

[tool.isort]
known_first_party = ["krotov"]
force_single_line = false
lines_after_imports = 2
line_length = 79
use_parentheses = true
multi_line_output = 3
include_trailing_comma = true
skip = ["src/krotov/__init__.py"]

[tool.black]
line-length = 79
skip-string-normalization = true
target-version = ["py310"]