tox.ini

[tox]
ignore_basepython_conflict = true
# these are the default environments, i.e. the list of tests running when you
# execute `tox` in the command-line without anything else
envlist =
    core-numpy-tests
    core-torch-tests
    torch-tests
    lint

lint_folders = {toxinidir}/examples {toxinidir}/src {toxinidir}/tests

[testenv]
# we use by default the cpu version of torch, if the cuda version is desired
# please overwrite the PIP_EXTRA_INDEX_URL
setenv =
    PIP_EXTRA_INDEX_URL=https://download.pytorch.org/whl/cpu

[testenv:core-numpy-tests]
description = Runs Python tests with core
usedevelop = true
deps =
    ase
    pytest
commands =
    pytest --import-mode=append {posargs}

[testenv:core-torch-tests]
description = Runs Python tests only with metatensor-core
usedevelop = {[testenv:core-numpy-tests]usedevelop}
deps =
    {[testenv:core-numpy-tests]deps}
    torch
commands =
    {[testenv:core-numpy-tests]commands}

[testenv:torch-tests]
description = Runs Python tests with metatensor-torch
usedevelop = {[testenv:core-numpy-tests]usedevelop}
extras = torch
deps =
    {[testenv:core-numpy-tests]deps}
commands =
    {[testenv:core-numpy-tests]commands}

[testenv:lint]
description = Run linters
skip_install = true
deps =
    flake8
    flake8-bugbear
    black
    isort
commands =
    flake8 {[tox]lint_folders}
    black --check --diff {[tox]lint_folders}
    isort --check-only --diff {[tox]lint_folders}

[testenv:format]
description =
    Abuse tox to do actual formatting. Users can call `tox -e format` to run
    formatting on all files.
skip_install = true
deps =
    black
    isort
commands =
    black {[tox]lint_folders}
    isort {[tox]lint_folders}

[testenv:docs]
description = Build the documentation with sphinx
usedevelop = true
setenv =
    PIP_EXTRA_INDEX_URL={env:PIP_EXTRA_INDEX_URL:https://download.pytorch.org/whl/cpu}
extras = torch
deps =
    -r docs/requirements.txt
commands = sphinx-build {posargs:-E} -W -b html docs/src docs/build/html

[testenv:build]
description = Build sdist and a wheel for python
deps =
    build
    check-manifest
    twine
allowlist_externals =
    bash
commands =
    # check building sdist and wheels from a checkout
    python -m build
    twine check dist/*.tar.gz
    twine check dist/*.whl
    check-manifest {toxinidir}

    # check building wheels from the sdist
    bash -c "pip wheel --verbose dist/equisolve-*.tar.gz -w dist/test"

[flake8]
max_line_length = 88
extend-ignore = E203