AiiDA plugin registry

This repository contains the source of the official registry of AiiDA plugins.

If you are starting to develop a new plugin (e.g. using the AiiDA plugin cutter) or if you already have one, please register it here. We strongly encourage to register at early stages of development, since this both "reserves" the name of your plugin and informs the developer community of your ongoing work.

By default, the list of plugins is now sorted by the latest release, so plugins that are under active development automatically bubble up to the top. The release date is determined by the date of the latest PyPI release. Plugins not released to PyPI will have no release date.

How to register a plugin

1. Fork this repository
2. Add your plugin to the end of the plugins.yaml file, e.g.

   ...
   aiida-new:
     entry_point_prefix: new
     plugin_info: https://raw.github.com/aiidateam/aiida-new/master/setup.json
     code_home: https://github.com/aiidateam/aiida-new
     documentation_url: http://aiida-new.readthedocs.io/
   

3. Create a Pull Request to this repository

Valid keys for each plugin

top-level key (required)

The name under which your plugin will be distributed. By convention, names of AiiDA plugins are lowercase and prefixed by aiida-.

Examples:

• aiida-quantumespresso
• aiida-gaussian-datatypes

entry_point_prefix (required)

The prefix of all entry points provided by the plugin. By convention, a plugin aiida-xxx should use entry_point_prefix: xxx.

Example: aiida-quantumespresso uses the entry point prefix quantumespresso and provides numerous entry points, all of which start with quantumespresso..

code_home (required)

The link to the homepage of the plugin, for example its github repository.

pip_url (required for development status beta and higher)

A URL or PyPI package name for installing the most recent version of the package through pip.

Examples:

• pip_url: aiida-quantumespresso for a package that is registered on PyPI
• pip_url: git+https://github.com/aiidateam/aiida-wannier90 for a package not registered on PyPI

plugin_info (required for development status stable)

URL pointing to a JSON file containing the keyword arguments passed to the setuptools.setup function when installing your package.

For an example, see the setup.json file of the aiida-diff demo plugin.

documentation_url (optional)

The link to the online documentation for your plugin, for example on readthedocs.org .

version_file (optional)

Use this to point to a Python module that contains a __version__ variable with the version of your plugin. Useful for flit and setuptools configuration files that use the programmatic version = attr: aiida_plugin.__version__ format.

development_status (deprecated)

The development status of a plugin used to be recorded explicitly on the plugin registry. Over time, we've moved closer and closer to adopting the development status trove classifer, so we now suggest to just use those in your setup.json/setup.cfg/... file of your plugin.

If no development status is specified, the status will default to 'planning'.

How to fix registry warnings and errors

You can reproduce the warnings/errors locally through the instructions.

Warning/Error codes

W001

• Message: Cannot fetch all data from PyPI and missing plugin_info key!
• Cause: The plugin is not registered on PyPI and the plugin_info key is missing.
• Solution: Register your plugin on PyPI or add the plugin_info key pointing to the correct plugin_info file.

W002

• Message: AiiDA version not found
• Cause: aiida-core is not found in the plugin requirements.
• Solution: Add aiida-core to the plugin requirements with the version specifier.

W003

• Message: Missing classifier 'Framework :: AiiDA'
• Cause: The plugin does not have the classifier Framework :: AiiDA in the plugin metadata (e.g. setup.json, pyproject.toml, setup.cfg).
• Solution: Add the classifier Framework :: AiiDA to the plugin metadata.

W004

• Message: Multiple development statuses found in classifiers
• Cause: The plugin has multiple development statuses in the plugin metadata.
• Solution: Remove the extra development status from the plugin metadata.

W005

• Message: Development status in classifiers not match development status in metadata
• Cause: The development status in the plugin metadata does not match the "developments_status" (deprecated, and defined in plugins.yaml).
• Solution: Use development status trove classifer only.

W006

• Message: development_status is deprecated.
• Cause: The development_status key is found in plugins.yaml.
• Solution: Use development status trove classifer.

W007

• Message: Invalid development status.
• Cause: The development status is not one of the following: planning, pre-alpha, alpha, beta, stable, mature, inactive.
• Solution: Use one of the following development status: planning, pre-alpha, alpha, beta, stable, mature, inactive. But note that development_status is deprecated and you should use development status trove classifer instead.

W008

• Message: Unable to reach documentation URL.
• Cause: The documentation URL is not reachable.
• Solution: Check the documentation URL is correctly defined in plugins.yaml.

W009

• Message: Prefix of entry points does not follow naming convention.
• Cause: The prefix of entry points does not match the convention of package name, where if you have package aiida-xxx, the prefix of entry points should be xxx.
• Solution: Change the prefix of entry points to match the convention.

W010

• Message: Entry point does not start with proper prefix.
• Cause: The entry point does not start with the prefix defined in plugins.yaml.
• Solution: Change the entry point to start with the prefix defined in plugins.yaml.

W011

• Message: Unable to parse TOML.
• Cause: The pyproject.toml cannot be parsed.
• Solution: Check the pyproject.toml is correctly formatted.

W012

• Message: Unknown build system in pyproject.toml.
• Cause: The build system in pyproject.toml is not one of the following, check PEP621: setuptools, flit, poetry.
• Solution: Use one of the following build system: setuptools, flit, poetry.

W013

• Message: Unknown build system.
• Cause: The build tool is not valid. We support setuptools (setup.cfg, setup.json), flit (pyproject.toml), poetry (pyproject.toml).
• Solution: Use one of the following build system: setuptools, flit, poetry.

W014

• Message: Unable to parse setup JSON.
• Cause: The setup.json cannot be parsed.
• Solution: Check the setup.json is correctly formatted.

W015

• Message: Version & description metadata are not (yet) parsed from the flit build system in pyproject.toml.
• Cause: The version & description metadata are not (yet) parsed from the flit build system in pyproject.toml.
• Solution: Add the version & description metadata to the pyproject.toml.

W016

• Message: Unable to parse setup.cfg.
• Cause: The setup.cfg cannot be parsed.
• Solution: Check the setup.cfg is correctly formatted.

W017

• Message: Invalid version encontered in Poery pyproject.toml for aiida-core.
• Cause: The version of aiida-core in pyproject.toml is not valid.
• Solution: Check the version of aiida-core in pyproject.toml is valid and correct.

W018

• Message: Unable to parse module of the package to futher parse the version from.
• Cause: The module of the package cannot be parsed.
• Solution: Check the module of the package is correctly formatted.

W019

• Message: No bdist_wheel available for PyPI release.
• Cause: The bdist_wheel is not available for PyPI release.
• Solution: Check the bdist_wheel is available for PyPI release.

W020

• Message: Unable to read wheel file from PyPI release.
• Cause: The wheel file cannot be read from PyPI release.
• Solution: Check the wheel file is correctly formatted.

E001

• Message: Failed to install the plugin
• Cause: The plugin cannot be installed with pip install --pre.
• Solution: Fix the installation of the plugin.

E002

• Message: Failed to import the plugin
• Cause: The plugin cannot be imported.
• Solution: Fix the import of the plugin.

E003

• Message: Failed to fetch entry point metadata for package
• Cause: The entry point metadata cannot be fetched.
• Solution: Check to see if the entry point metadata is correct.

E004

• Message: Unable to retrieve plugin metadata
• Cause: The plugin metadata cannot be retrieved.
• Solution: Check the URL of your plugin info URL in plugins.yaml is correct.