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* fix #156 (split making tutorial into sub pages) * fix #86 (embed video) * update notes on versioning: we switched the cookiecutter from versioneer to versioningit
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- sphinx | ||
- mdanalysis-sphinx-theme | ||
- sphinxcontrib-youtube | ||
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- pyyaml | ||
- pydantic | ||
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.. _add-mdakit: | ||
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******************************** | ||
Adding an MDAKit to the Registry | ||
******************************** | ||
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Do you have an MDAKit? Consider adding it to the | ||
:ref:`MDAKits Registry! <mdakits>`. | ||
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.. note:: | ||
The `MDAKit registry`_ is still in its initial stages. We expect that the way | ||
in which MDAKits are added, and the type of information required, may change | ||
over time. Please reach out via the `issue tracker`_ if you have any | ||
questions. | ||
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Registering an MDAKit requires you to create a single file with meta information | ||
(called ``metadata.yaml``) describing the Kit, and add this to the | ||
`MDAnalysis/mdakits repository`_ on GitHub. The links below provide information | ||
about this process and more detail about the ``metadata.yaml`` file. | ||
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.. toctree:: | ||
:maxdepth: 2 | ||
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registering-a-kit/step-by-step | ||
registering-a-kit/metadata-yaml | ||
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.. _`MDAKit registry`: https://mdakits.mdanalysis.org/mdakits.html | ||
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.. _`issue tracker`: | ||
https://github.com/MDAnalysis/MDAKits/issues | ||
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.. _`MDAnalysis/mdakits repository`: | ||
https://github.com/MDAnalysis/mdakits |
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.. _maintaining: | ||
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********************* | ||
Maintaining an MDAKit | ||
********************* | ||
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.. note:: | ||
This section is still under construction. If you have topics you would | ||
like to see covered here, please get in touch via | ||
`MDAnalysis Github Discussion`_. | ||
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There are a variety of reasons a kit may behave unexpectedly after being | ||
submitted to the registry. Apart from actively developing the kit, changes in | ||
kit dependencies, or even Python itself, can introduce/deprecate new/old functionality. | ||
For this reason, the kits' continuous integration is rerun weekly to | ||
confirm the kits expected behavior. | ||
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In the event that a kit no longer passes its tests, an issue in | ||
MDAnalysis/MDAKits is automatically raised while notifying the maintainers | ||
indicated in the `metadata.yaml` file. | ||
While the registry developers will be happy to help where possible, ultimately, | ||
the maintainers of the MDAKit are responsible for resolving such issues and | ||
ensuring that the tests pass. | ||
The issue will automatically close after the next CI run if the tests pass again. | ||
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.. _`MDAnalysis GitHub Discussions`: | ||
https://github.com/MDAnalysis/mdanalysis/discussions |
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.. _documentation: | ||
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************* | ||
Documentation | ||
************* | ||
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Basic documentation is **required** for MDAKit registration. The detail and | ||
depth of the documentation is ultimately up to you, but we require **at a | ||
minimum** that you provide README-style documentation explaining what the code | ||
is supposed to do, how to install it, and the basics of its use. | ||
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Although this is the minimum, we highly recommend that you consider generating | ||
your documentation with dedicated tools such as | ||
`Sphinx <https://www.sphinx-doc.org/en/master/>`_, which allows you to generate | ||
static documentation using | ||
`reStructuredText <https://www.sphinx-doc.org/en/master/usage/restructuredtext/index.html>`_ | ||
-formatted plain text directly from your code. This makes it easier for your | ||
documentation to change alongside code changes. | ||
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Using a **documentation hosting service** such as | ||
`Read the Docs <https://readthedocs.org>`_ or | ||
`GitHub Pages <https://pages.github.com/>`_ allows easy public access to your | ||
automatically generated documentation. | ||
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.. _guided-example: | ||
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********************************************* | ||
Guided Example: Building an RMSF analysis Kit | ||
********************************************* | ||
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In this section, we provide a guided example for creating an MDAKit | ||
using the `MDAKit cookiecutter <https://cookiecutter-mdakit.readthedocs.io>`_. | ||
A `video walk-through <https://www.youtube.com/watch?v=viCPUHkgSxg>`_ | ||
of this tutorial is available on YouTube: | ||
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.. youtube:: viCPUHkgSxg | ||
:align: center | ||
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We will create a kit for RMSF analysis, replicating the functionality | ||
of the `RMSF analysis class <https://docs.mdanalysis.org/stable/documentation_pages/analysis/rms.html#MDAnalysis.analysis.rms.RMSF>`_ | ||
in the core library. | ||
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First, let's refresh ourselves on the :ref:`requirements <requirements>` | ||
for a 'registerable' kit. In brief: | ||
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**MDAKit requirements** | ||
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#. Uses MDAnalysis | ||
#. Open source + OSI license | ||
#. Versioned + on a version-controlled repository | ||
#. Designated authors and maintainers | ||
#. (At least) minimal documentation | ||
#. (At least) minimal regression tests | ||
#. Installable as a standard package | ||
#. (Recommended) community information available | ||
#. (Recommended) available on a package distribution platform | ||
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Below are the steps we'll go through to create our MDAKit. We'll check | ||
back in after each part to see how we're progressing through these | ||
requirements! | ||
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.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Steps for creating an MDAKit from the cookiecutter | ||
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guided-example/use-cookiecutter | ||
guided-example/add-code | ||
guided-example/add-tests | ||
guided-example/to-github | ||
guided-example/add-docs | ||
guided-example/make-release | ||
guided-example/registering | ||
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