diff --git a/.github/dependabot.yml b/.github/dependabot.yml new file mode 100644 index 000000000..d7cee4a15 --- /dev/null +++ b/.github/dependabot.yml @@ -0,0 +1,11 @@ +version: 2 +updates: + - package-ecosystem: "github-actions" + directory: "/" + schedule: + interval: monthly + open-pull-requests-limit: 1 + groups: + action-dependencies: + patterns: + - "*" # A wildcard to create one PR for all dependencies in the ecosystem diff --git a/.github/workflows/tests.yml b/.github/workflows/tests.yml index 3b1376047..3e59bbf06 100644 --- a/.github/workflows/tests.yml +++ b/.github/workflows/tests.yml @@ -27,6 +27,10 @@ jobs: - name: run Python tests run: tox -e tests - - uses: codecov/codecov-action@v3 + + - name: upload to codecov.io + uses: codecov/codecov-action@v4 with: + fail_ci_if_error: true files: ./tests/coverage.xml + token: ${{ secrets.CODECOV_TOKEN }} diff --git a/README.rst b/README.rst index 978faca14..555041f6e 100644 --- a/README.rst +++ b/README.rst @@ -1,6 +1,5 @@ scikit-matter ============= - |tests| |codecov| |pypi| |conda| |docs| |doi| A collection of scikit-learn compatible utilities that implement methods born out of the @@ -14,41 +13,35 @@ For details, tutorials, and examples, please have a look at our `documentation`_ Installation ------------ - You can install *scikit-matter* either via pip using .. code-block:: bash pip install skmatter - or conda .. code-block:: bash conda install -c conda-forge skmatter - You can then ``import skmatter`` and use scikit-matter in your projects! .. marker-ci-tests Tests ----- +We are testing our code for Python 3.8 and 3.12 on `Windows Server 2019`_, `macOS 11`_ +and `Ubuntu LTS 22.04`_. -We are testing our code for Python 3.8 and 3.11 on `Windows Server 2019 -`_, -`macOS 11 -`_ -and `Ubuntu LTS 22.04 -`_. +.. _`Windows Server 2019`: https://github.com/actions/runner-images/blob/main/images/win/Windows2019-Readme.md +.. _`macOS 11`: https://github.com/actions/runner-images/blob/main/images/macos/macos-11-Readme.md +.. _`Ubuntu LTS 22.04`: https://github.com/actions/runner-images/blob/main/images/linux/Ubuntu2204-Readme.md .. marker-issues Having problems or ideas? ------------------------- - Having a problem with scikit-matter? Please let us know by `submitting an issue `_. @@ -59,7 +52,6 @@ Submit new features or bug fixes through a `pull request Call for Contributions ---------------------- - We always welcome new contributors. If you want to help us take a look at our `contribution guidelines`_ and afterwards you may start with an open issue marked as `good first issue`_. @@ -84,8 +76,7 @@ Writing code is not the only way to contribute to the project. You can also: Citing scikit-matter -------------------- - -If you use scikit-matter for your work, please cite: +If you use *scikit-matter* for your work, please cite: Goscinski A, Principe VP, Fraux G et al. scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry @@ -94,7 +85,6 @@ and Materials Science. Open Res Europe 2023, 3:81. Contributors ------------ - Thanks goes to all people that make scikit-matter possible: .. image:: https://contrib.rocks/image?repo=scikit-learn-contrib/scikit-matter diff --git a/tox.ini b/tox.ini index 7f0a6c5bf..a004f8484 100644 --- a/tox.ini +++ b/tox.ini @@ -66,8 +66,8 @@ commands = blackdoc --check --diff {[tox]lint_folders} isort --check-only --diff {[tox]lint_folders} sphinx-lint --enable line-too-long --max-line-length 88 \ - -i "{toxinidir}/docs/src/examples" \ - {[tox]lint_folders} "{toxinidir}/README.rst" + -i "{toxinidir}/docs/src/examples" \ + {[tox]lint_folders} "{toxinidir}/README.rst" [testenv:{format,format-unsafe}] description =