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Please go the the `Preview` tab and select the appropriate PR template: | ||
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* [Default template](?expand=1&template=pull_request_template.md) | ||
* [Adding a new architecture](?expand=1&template=pull_request_new-architecture.md) | ||
- [Default template](?expand=1&template=pull_request_template.md) | ||
- [Adding a new architecture](?expand=1&template=pull_request_new-architecture.md) |
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.. _contributing: | ||
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Contributing | ||
============ | ||
🎉 First off, thanks for taking the time to contribute to metatensor-models! 🎉 | ||
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If you want to contribute but feel a bit lost, do not hesitate to contact us and ask | ||
your questions! We will happily mentor you through your first contributions. | ||
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Area of contributions | ||
--------------------- | ||
The first and best way to contribute to metatensor-models is to use it and advertise it | ||
to other potential users. Other than that, you can help with: | ||
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- documentation: correcting typos, making various documentation clearer; | ||
- bug fixes and improvements to existing code; | ||
- adding new architectures | ||
- and many more ... | ||
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All these contributions are very welcome. We accept contributions via Github `pull | ||
request <https://github.com/metatensor-models/pulls>`_. If you want to work on the code | ||
and pick something easy to get started, have a look at the `good first issues | ||
<https://github.com/lab-cosmo/metatensor-models/labels/Good%20first%20issue>`_. | ||
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Bug reports and feature requests | ||
-------------------------------- | ||
Bug and feature requests should be reported as `Github issues | ||
<https://github.com/metatensor-models/issues>`_. For bugs, you should provide | ||
information so that we can reproduce it: what did you try? What did you expect? What | ||
happened instead? Please provide any useful code snippet or input file with your bug | ||
report. | ||
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If you want to add a new feature to metatensor-models, please create an `issue | ||
<https://github.com/lab-cosmo/metatensor-models/issues/new>`_ so that we can discuss it, | ||
and you have more chances to see your changes incorporated. | ||
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Contribution tutorial | ||
--------------------- | ||
In this small tutorial, you should replace `<angle brackets>` as needed. If anything is | ||
unclear, please ask for clarifications! There are no dumb questions. | ||
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Getting started | ||
--------------- | ||
To help with developing start by installing the development dependencies: | ||
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.. code-block:: bash | ||
pip install tox | ||
Then this package itself | ||
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.. code-block:: bash | ||
git clone https://github.com/lab-cosmo/metatensor-models cd metatensor-models pip | ||
install -e . | ||
This install the package in development mode, making it importable globally and allowing | ||
you to edit the code and directly use the updated version. To see a list of all | ||
supported tox environments please use | ||
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.. code-block:: bash | ||
tox list | ||
Running the tests | ||
----------------- | ||
The testsuite is implemented using Python's `unittest`_ framework and should be set-up | ||
and run in an isolated virtual environment with `tox`_. All tests can be run with | ||
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.. code-block:: bash | ||
tox # all tests | ||
If you wish to test only specific functionalities, for example: | ||
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.. code-block:: bash | ||
tox -e lint # code style | ||
tox -e tests # unit tests of the main library | ||
tox -e examples # test the examples | ||
You can also use ``tox -e format`` to use tox to do actual formatting instead of just | ||
testing it. Also, you may want to setup your editor to automatically apply the `black | ||
<https://black.readthedocs.io/en/stable/>`_ code formatter when saving your files, there | ||
are plugins to do this with `all major editors | ||
<https://black.readthedocs.io/en/stable/editor_integration.html>`_. | ||
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If you want to test a specific archicture you can also do it. For example | ||
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.. code-block:: bash | ||
tox -e soap-bpnn-tests | ||
Will run the unit and regression tests for the :ref:`SOAP-BPNN <architecture-soap-bpnn>` | ||
model. Note that architecture tests are not run by default if yiu just type ``tox``. | ||
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.. _unittest: https://docs.python.org/3/library/unittest.html | ||
.. _tox: https://tox.readthedocs.io/en/latest | ||
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Contributing to the documentation | ||
--------------------------------- | ||
The documentation is written in reStructuredText (rst) and uses `sphinx`_ documentation | ||
generator. In order to modify the documentation, first create a local version on your | ||
machine as described above. Then, build the documentation with | ||
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.. code-block:: bash | ||
tox -e docs | ||
You can then visualize the local documentation with your favorite browser using the | ||
following command (or open the :file:`docs/build/html/index.html` file manually). | ||
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.. code-block:: bash | ||
# on linux, depending on what package you have installed: | ||
xdg-open docs/build/html/index.html | ||
firefox docs/build/html/index.html | ||
# on macOS: | ||
open docs/build/html/index.html | ||
.. _`sphinx` : https://www.sphinx-doc.org | ||
Contributing new architectures | ||
------------------------------ | ||
If you want to contribute a new model pleas read the pages on | ||
:ref:`architecture-life-cycle` and :ref:`adding-new-architecture`. |
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.. _architecture-life-cycle: | ||
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Life Cycle of an Architecture | ||
============================= | ||
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.. _label_dev-getting-started: | ||
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.. include:: ../../../CONTRIBUTING.rst |
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.. toctree:: | ||
:maxdepth: 1 | ||
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getting-started | ||
architecture-life-cycle | ||
new-architecture | ||
cli/index | ||
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