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2 changes: 1 addition & 1 deletion .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -18,7 +18,7 @@ jobs:
matrix:
include:
- os: ubuntu-22.04
python-version: "3.9"
python-version: "3.10"
- os: ubuntu-22.04
python-version: "3.12"
- os: macos-14
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2 changes: 1 addition & 1 deletion pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ dependencies = [
"platformdirs",
"metatensor-learn >=0.3.2,<0.4",
"metatensor-operations >=0.3.3,<0.4",
"metatensor-torch >=0.7.6,<0.8",
"metatensor-torch >=0.7.6,<0.9",
"metatomic-torch >=0.1.2,<0.2",
"vesin",
]
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15 changes: 13 additions & 2 deletions tox.ini
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ deps =
flake8==7.3.0
flake8-bugbear==24.12.12
black==25.1.0
blackdoc
blackdoc==0.4.2
isort

commands =
Expand All @@ -36,6 +36,7 @@ commands =
[testenv:build]
description = builds the package and checks integrity
usedevelop = true
skip_install = true
deps =
build
check-manifest
Expand All @@ -49,19 +50,29 @@ commands =
twine check dist/*.tar.gz dist/*.whl
check-manifest {toxinidir}

[testenv:pkg-smoke]
description = Install the built wheel (no deps) and sanity-check imports
deps =
pip
skip_install = true
commands =
python -m pip install --no-deps dist/*.whl
python -c "import shiftml, importlib.metadata as m; print('ok', m.version('shiftml'))"

[testenv:format]
description = Abuse tox to do actual formatting on all files.
package = skip
deps =
black==25.1.0
blackdoc
blackdoc==0.4.2
isort
commands =
black src tests
blackdoc src tests
isort src tests



[testenv:docs]
description = Invoke sphinx-build to build the HTML docs
deps =
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