-
Notifications
You must be signed in to change notification settings - Fork 26
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
1 parent
059a5a6
commit 746da08
Showing
12 changed files
with
581 additions
and
215 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,27 @@ | ||
.. _add-mdakit: | ||
|
||
******************************** | ||
Adding an MDAKit to the Registry | ||
******************************** | ||
|
||
Do you have an MDAKit? Consider adding it to the `MDAKit registry`_! | ||
|
||
|
||
.. 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. | ||
|
||
**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. | ||
|
||
.. toctree:: | ||
:maxdepth: 1 | ||
|
||
registering-a-kit/step-by-step | ||
registering-a-kit/metadata-yaml | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,16 @@ | ||
********************* | ||
Maintaining an MDAKit | ||
********************* | ||
|
||
* More TBA* | ||
|
||
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. | ||
The issue will automatically close after the next CI run if the tests pass again. |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -1,43 +1,47 @@ | ||
************************************************ | ||
Building from the cookiecutter: a guided example | ||
************************************************ | ||
.. _guided-example: | ||
|
||
********************************************* | ||
Guided Example: Building an RMSF analysis Kit | ||
********************************************* | ||
|
||
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 of this tutorial <https://www.youtube.com/watch?v=viCPUHkgSxg>`_ | ||
is available on YouTube. | ||
A `video walk-through <https://www.youtube.com/watch?v=viCPUHkgSxg>`_ | ||
of this tutorial is available on YouTube. | ||
|
||
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. | ||
|
||
First, let's refresh ourselves on the :ref:`requirements <requirements>` | ||
for a 'registerable' kit. In brief: | ||
|
||
**MDAKit requirements** | ||
|
||
As a reminder, here are (in brief) the requirements (and recommendations) | ||
that we are aiming to fulfil to make a 'registerable' kit. See the | ||
requirements in more detail :ref:`here <requirements>` | ||
We'll check back in at the end of each part to see how we're going! | ||
|
||
#. Uses MDAnalysis | ||
#. Open source + OSI license | ||
#. Versioned + on a version-controlled repository | ||
#. Versioned + on 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) on a package distribution platform | ||
#. (Recommended) available on a package distribution platform | ||
|
||
|
||
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 | ||
requirements! | ||
|
||
.. toctree:: | ||
:maxdepth: 1 | ||
:caption: Steps | ||
:caption: Steps for creating an MDAKit from the cookiecutter | ||
|
||
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 | ||
|
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Oops, something went wrong.