Quickstart¶
You have a code and would like to use it from AiiDA? You need a special data type, parser, scheduler, … that is not available? Then you’ll need to write an AiiDA plugin.
Let’s get started with creating a new plugin aiida-mycode
.
At least once, install an existing aiida plugin to make sure this works.
Check on the aiida plugin registry that the plugin name is still available
Download the AiiDA plugin template:
wget https://github.com/aiidateam/aiida-plugin-template/archive/master.zip unzip master.zip cd aiida-plugin-templateReplace the name
aiida-plugin-template
byaiida-mycode
:mv aiida_plugin_template aiida_mycode sed -i .bak 's/aiida_plugin_template/aiida_mycode/g' README.md setup.json examples/*.py sed -i .bak 's/aiida-plugin-template/aiida-mycode/g' README.md setup.json sed -i .bak 's/template\./mycode./g' setup.jsonInstall your new plugin:
workon <name_of_your_virtualenv> # if you have one pip install -e . reentry scan -r aiida
That’s it - now you can import aiida-mycode
and start developing your plugin
- A few things to keep in mind:
- Be sure to update the setup.json, in particular the license and version number
- Get your plugin listed as soon as possible to reserve your plugin name and to inform others of your ongoing development