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160 changes: 0 additions & 160 deletions docs/source/add.rst

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27 changes: 17 additions & 10 deletions docs/source/addingakit.rst
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Adding an MDAKit to the Registry
********************************

Do you have an MDAKit? Consider adding it to the `MDAKit registry`_!

Do you have an MDAKit? Consider adding it to the
:ref:`MDAKits Registry! <mdakits>`.

.. 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
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.

**The registration process**

Registering an MDAKit requires you to create a single file with metadata
(called ``metadata.yaml``) describing the kit, and . You add this file to the `MDAnalysis/mdakits
repository`_ on GitHub. Links below.
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.

.. toctree::
:maxdepth: 1
:maxdepth: 2

registering-a-kit/step-by-step
registering-a-kit/metadata-yaml


.. _`MDAKit registry`: https://mdakits.mdanalysis.org/mdakits.html

.. _`issue tracker`:
https://github.com/MDAnalysis/MDAKits/issues

.. _`MDAnalysis/mdakits repository`:
https://github.com/MDAnalysis/mdakits
21 changes: 14 additions & 7 deletions docs/source/maintainingakit.rst
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.. _maintaining:

*********************
Maintaining an MDAKit
*********************

* More TBA*
.. note::
This section is still under construction, and more information will be added
soon!

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.
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.

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.
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.
25 changes: 12 additions & 13 deletions docs/source/making-a-kit/documentation.rst
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Documentation
*************

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.
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.

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
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.
-formatted plain text directly from your code. This makes it easier for your
documentation to change alongside code changes.

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.
`GitHub Pages <https://pages.github.com/>`_ allows easy public access to your
automatically generated documentation.

4 changes: 2 additions & 2 deletions docs/source/making-a-kit/from-cookiecutter.rst
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#. Uses MDAnalysis
#. Open source + OSI license
#. Versioned + on version-controlled repository
#. Versioned + on a version-controlled repository
#. Designated authors and maintainers
#. (At least) minimal documentation
#. (At least) minimal regression tests
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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 proressing through these
back in after each part to see how we're progressing through these
requirements!

.. toctree::
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24 changes: 12 additions & 12 deletions docs/source/making-a-kit/guided-example/add-code.rst
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*For a video demonstration of this section,*
`click here <https://www.youtube.com/watch?v=viCPUHkgSxg&t=48s>`_.

Now that we have a shell for our MDAKit, we can begin to add our code
to the ``rmsfkit/`` directory.
The cookiecutter created a ``<package_name>/`` directory where the MDAKit's
code can live - now it's time to start adding that code!

#. In this example, we are recreating the existing MDAnalysis RMSF analysis,
so we will simply copy and paste this analysis class into a new file
``rmsfkit/rmsfkit.py``.The in-code documentation (which has been trimmed
#. In this example, we are recreating the existing MDAnalysis RMSF analysis, so
we will simply copy and paste this analysis class into a new file,
``rmsfkit/rmsfkit.py``. The in-code documentation (which has been trimmed
here for brevity) is written in
`reStructuredText syntax <https://docutils.sourceforge.io/rst.html>`_
for building with Sphinx later.
`reStructuredText syntax <https://docutils.sourceforge.io/rst.html>`_ for
building with Sphinx later.

The contents of the file should now resemble the following code block:
The contents of the file now resemble the following code block:

.. code-block:: python
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raise ValueError("Some RMSF values negative; overflow " +
"or underflow occurred")

#. Finally, to make our ``RMSF`` analysis class easier to access, we
import it in ``__init__.py`` by adding:
#. We have now added the ``RMSF`` analysis class to our package. Finally, to
make this class easier to access, we import it in ``__init__.py`` by adding:

.. code-block:: python
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Progress: MDAKit requirements
-----------------------------

#. **✓ Uses MDAnalysis** - the added code uses the MDAnalysis
``AnalysisBase`` class and runs on MDAnalysis ``AtomGroup`` objects!
#. **✓ Uses MDAnalysis** - the added code uses the MDAnalysis ``AnalysisBase``
class, and takes MDAnalysis ``AtomGroup`` objects as inputs.
#. **✓ Open source + OSI license**
#. *Versioned + on a version-controlled repository*
#. **✓ Designated authors and maintainers**
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