pyproject.toml

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

[project]
name = "pymor"
dynamic = ["version"]
description = "Library for building model order reduction applications with Python"
readme = "README.md"
license = {file = "LICENSE.txt"}
requires-python = ">=3.8"
authors = [
  {name = "pyMOR developers", email = "main.developers@pymor.org"},
]
maintainers = [
  {name = "Stephan Rave", email = "stephan.rave@uni-muenster.de"},
]
classifiers = [
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: BSD License",
  "Programming Language :: Python :: 3.8",
  "Programming Language :: Python :: 3.9",
  "Programming Language :: Python :: 3.10",
  "Programming Language :: Python :: 3.11",
  "Programming Language :: Python :: 3.12",
  "Topic :: Scientific/Engineering :: Mathematics",
]
dependencies = [
  "diskcache",
  "matplotlib>=3.5.0",
  "numpy>=1.20.3,!=1.25.0,<2", # 1.25.0 crashes CI, >=2 breaks API
  "packaging",
  "pillow",
  "pygments",
  "qtpy>=2.3.1",
  "scipy>=1.5.4",
  "typer",
]

[project.optional-dependencies]
# additional dependencies for building docs via 'make docs'
docs = [
  "pymor[docs_additional,jupyter,slycot,ann]",
]
# we have the docs-related additional dependencies as a separate extra here
# to avoid pip-compile include pymor itself as a dependency, why is happening
# when recursive extras are used within recursive extras
docs-additional = [
  "bash_kernel",
  "docutils",
  "myst-nb>=0.16",
  "pybind11[global]",
  "python-slugify",
  "sphinx-autoapi",
  "sphinx-material",
  "sphinx",
  "sphinxcontrib-bibtex",
]
# additional dependencies for running tests via 'make tests'
tests = [
  "hypothesis[numpy,pytest]==6.56.3", # pin hypothesis version to ensure deterministic tests
  "pytest-notebook",
  "notebook",
  "pytest-cov",
  "pytest-datadir",
  "pytest>=7.2.1", # 7.2.0 causes format_source tests to fail do to wrong paths in co_filename
]
# additional dependencies for pyMOR development
dev = [
  "ruff==0.3.5", # our linter of choice
  "conda_lock==1.4.0", # needed for make ci_conda_requirements
  "hatch", # build frontend for building and publishing pyMOR images
]
# ## Optional dependencies for MOR algorithms
# dependencies for deep-learning based MOR methods
ann = [
  "torch>=1.11.0",
]
# dense matrix equation solver for system-theoretic methods and H-infinity norm calculation
# requires OpenBLAS headers and a Fortran compiler
slycot = [
  "slycot>=0.5.4",
]
# parallelization of some MOR algorithms (e.g. greedy search) using ipyparallel
ipyparallel = [
  "ipyparallel>=6.2.5",
]
# parallelization of some MOR algorithms (e.g. greedy search) using mpi
# support for MPI-distributed solvers
mpi = [
  "mpi4py>=3.0.3",
]
# ## Builtin discretizations
# GUI support for builtin discretizations
gui = [
  "pyside6>=6.4.3",
  "pyopengl",
]
# jupyter integration
jupyter = [
  "ipympl",
  "ipywidgets>7",
  "jupyterlab",
  "jupyterlab-myst",
  "k3d>=2.15.2",
  "notebook",
]
# VTK output for builtin discretizations
vtk = [
  "lxml",
  "meshio>=4.4",
  "pyevtk",
  "xmljson",
]
# gmsh support for builtin discretizations
gmsh = [
  "gmsh",
]
# # Supported external solvers available on PyPI
dune = [
  "dune-xt[visualisation]>=2022.5.3; platform_system==\"Linux\" and platform_machine==\"x86_64\"",
  "dune-gdt>=2022.5.3; platform_system==\"Linux\" and platform_machine==\"x86_64\"",
]
ngsolve = [
  "ngsolve",
]
scikit-fem = [
  "scikit-fem>=6.0.0",
]
# # Meta dependencies
# install all optional dependencies, except those requiring a compiler toolchain to build
full = [
  "pymor[docs_additional,tests,dev,ann,ipyparallel,gui,jupyter,vtk,gmsh,dune,ngsolve,scikit-fem]",
]
# install all optional dependencies, including those requiring a compiler toolchain to build
full-compiled = [
  "pymor[full,slycot,mpi]",
]

[project.scripts]
pymor-demo = "pymor.scripts.pymor_demo:run"
pymor-vis = "pymor.scripts.pymor_vis:run"

[project.urls]
homepage = "https://pymor.org"
documentation = "https://docs.pymor.org"
source = "https://github.com/pymor/pymor"
tracker = "https://github.com/pymor/pymor/issues"
"release notes" = "https://docs.pymor.org/latest/release_notes/all.html"

# each entry is a list of paths that coverage will consider to be equivalent
# this allows to map source files if pymor is imported from installed package
[tool.coverage.paths]
root = [
  "/pymor",
  "src/pymor",
]

# omit the runtime compiled source of pymor.analyticalproblems.expression.Expression
[tool.coverage.report]
omit = [
  "expression",
  "*/expression",
  "src/pymor/version.py",
  "pymor/version",
]

[tool.coverage.run]
relative_files = true
source = [
  "src",
]
source_pkgs = [
  "pymor",
]
omit = [
  "expression",
  "*/expression",
  "src/pymor/version.py",
  "pymor/version",
]

[tool.hatch.build.targets.sdist]
include = [
  "/src",
  "/docs",
  "CITATION.cff",
]

[tool.hatch.build.targets.wheel]
packages = [
  "/src/pymor",
  "/src/pymordemos",
]

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

[tool.pytest.ini_options]
pythonpath = "src"
testpaths = "src/pymortests"
python_files = "*.py"
# exclude misbehaving plugin from auto load
addopts = "-p no:nb_regression --durations 10"
junit_family = "xunit2"
markers = [
  "builtin: test does not require external PDE solver",
]

[tool.ruff]
src = ["src"] # this makes isort behave nicely
line-length = 120

[tool.ruff.lint]
select = [
  "F", # Pyflakes
  "W", # pycodestyle warning
  "E", # pycodestyle error
  "I", # isort
  "N", # pep8-naming
  "D", # pydocstyle
  "UP", # pyupgrade
  "YTT", # flake8-2020
  "ASYNC", # flake8-async
  "B", # flake8-bugbear
  "C4", # flake8-comprehensions
  "DTZ", # flake8-datetimez
  "EXE", # flake8-executable
  "ISC", # flake8-implicit-str-concat
  "ICN", # flake8-import-conventions
  "PT", # flake8-pytest-style
  "Q", # flake8-quotes
  "RSE", # flake8-raise
  "SIM", # flake8-simplify
  "TD", # flake8-todos
  "PGH", # pygrep-hooks
  "RUF", # Ruff-specific rules
  "NPY", # NumPy-specific rules
]
ignore = [
  "B006", # do not use mutable data structures for argument defaults
  "B007", # loop control variable not used within loop body
  "B008", # do not perform function call in argument defaults
  "B011", # do not `assert False`
  "B017", # pytest.raises(Exception) should be considered evil
  "B028", # no explicit `stacklevel` keyword argument found
  "C408", # unnecessary collection (dict, list, tuple) call
  "D100", # missing docstring in public module
  "D101", # missing docstring in public class
  "D102", # missing docstring in public method
  "D103", # missing docstring in public function
  "D104", # missing docstring in public package
  "D105", # missing docstring in magic method
  "D106", # missing docstring in public nested class
  "D401", # first line of docstring should be in imperative mood
  "D404", # first word of the docstring should not be "This"
  "D405", # the linter thinks the argument name 'parameters' is a docstring section
  "D407", # same as above
  "D410", # same as above
  "D411", # same as above
  "D414", # same as above
  "E402", # module level import not at top of file (due to config.require("PKG") syntax)
  "E731", # do not assign a lambda expression, use a def
  "E741", # do not use variables named 'l', 'O', or 'I'
  "N802", # function name should be lowercase
  "N803", # argument name should be lowercase (we use single capital letters everywhere for vectorarrays)
  "N806", # same for variables in function
  "PT004", # fixture does not return anything, add leading underscore
  "PT011", # pytest.raises(Exception) is too broad
  "PT012", # pytest.raises() block should contain a single simple statement
  "PT015", # assertion always fails, replace with `pytest.fail()`
  "RUF005", # consider unpacking instead of concatenation
  "SIM102", # use a single if statement instead of nested if statements
  "SIM105", # use contextlib.suppress instead of try-except-pass
  "SIM108", # use ternary operator instead of if-else-block
  "SIM114", # combine if branches using logical or operator
  "SIM116", # use a dictionary instead of consecutive `if` statements
  "SIM300", # Yoda conditions
  "TD002", # missing author in TODO
  "TD003", # missing issue link on the line following this TODO
]

[tool.ruff.lint.flake8-import-conventions]
banned-from = ["numpy.linalg"] # avoids importing similar routines from numpy.linalg and scipy.linalg

[tool.ruff.lint.flake8-import-conventions.extend-aliases]
scipy = "" # don't import scipy directly
"scipy.linalg" = "spla"

[tool.ruff.lint.flake8-quotes]
inline-quotes = "single"

[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"] # module imported but unused
"docs/source/try_on_binder.py" = ["N801"] # class name CapWords convention
"src/pymor/algorithms/genericsolvers.py" = ["TD001"] # invalid TODO tag (XXX)
"src/pymor/algorithms/rules.py" = ["N801", "N805"] # class name CapWords convention, first argument should be `self`
"src/pymor/analyticalproblems/expressions.py" = ["N801"] # class name CapWords convention
"src/pymor/basic.py" = ["F401"] # ununsed imports
"src/pymordemos/*" = ["F403", "F405"] # undefined import due to pymor.basic functionality

[tool.ruff.lint.pycodestyle]
max-doc-length = 100

[tool.ruff.lint.pydocstyle]
convention = "numpy"

[tool.tomlsort]
trailing_comma_inline_array = true

[tool.yamlfix]
sequence_style = "block_style"