diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index d49efd0..ae8b57c 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -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 diff --git a/pyproject.toml b/pyproject.toml index 0583308..c2f6285 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -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", ] diff --git a/tox.ini b/tox.ini index a30dd49..ff85925 100644 --- a/tox.ini +++ b/tox.ini @@ -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 = @@ -36,6 +36,7 @@ commands = [testenv:build] description = builds the package and checks integrity usedevelop = true +skip_install = true deps = build check-manifest @@ -49,12 +50,21 @@ 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 @@ -62,6 +72,7 @@ commands = isort src tests + [testenv:docs] description = Invoke sphinx-build to build the HTML docs deps =