Metadata-Version: 2.1
Name: jlab-aiidatree
Version: 0.1.0
Summary: A JupyterLab extension for exploring AiiDA databases.
Home-page: https://github.com/chrisjsewell/jlab_aiidatree
Author: Chris Sewell
Author-email: chrisj_sewell@hotmail.com
License: BSD-3-Clause
Description: # jlab_aiidatree [IN-DEVELOPMENT]
        
        ![Github Actions Status](https://github.com/chrisjsewell/jlab_aiidatree/workflows/Build/badge.svg)
        [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/chrisjsewell/jlab_aiidatree/main?urlpath=lab)
        
        A JupyterLab extension for exploring [AiiDA](https://www.aiida.net/) databases.
        This is extension is intended to provide similar functionality for exploring graphs as the VS Code [AiiDA Explorer extension](https://marketplace.visualstudio.com/items?itemName=chrisjsewell.aiida-explore-vscode):
        
        - View Processes
        - Filter by process state
        - Expand processes with their incoming/outgoing nodes
        - View node attributes stored on the database
        - Visualise node graphs (with D3 Graph)
        - Visualise `StructureData` (the ThreeJS)
        
        TODO:
        
        - View Computers and attached codes
        - View Groups and attached nodes
        
        ![Example](images/example.png)
        
        This extension is composed of a Python package named `jlab_aiidatree`
        for the server extension and a NPM package named `jlab_aiidatree`
        for the frontend extension.
        
        ## Install
        
        To install the extension, execute:
        
        ```bash
        pip install jlab_aiidatree
        ```
        
        To connect to you database, ensure the setting are correct for your database (you can find these out with `verdi status`)
        
        **IMPORTANT**: The database is connected to from the server side of AiiDA Lab, i.e. where you are hosting and not necessarily on your local machine:
        
        ![Settings](images/settings.png)
        
        ## Uninstall
        
        To remove the extension, execute:
        
        ```bash
        pip uninstall jlab_aiidatree
        ```
        
        ## Requirements
        
        * JupyterLab >= 3.0
        
        ## Troubleshoot
        
        If you are seeing the frontend extension, but it is not working, check
        that the server extension is enabled:
        
        ```bash
        jupyter server extension list
        ```
        
        If the server extension is installed and enabled, but you are not seeing
        the frontend extension, check the frontend extension is installed:
        
        ```bash
        jupyter labextension list
        ```
        
        
        ## Contributing
        
        ### Development install
        
        Note: You will need NodeJS to build the extension package.
        
        The `jlpm` command is JupyterLab's pinned version of
        [yarn](https://yarnpkg.com/) that is installed with JupyterLab. You may use
        `yarn` or `npm` in lieu of `jlpm` below.
        
        ```bash
        # Clone the repo to your local environment
        # Change directory to the jlab_aiidatree directory
        # Install package in development mode
        pip install -e .
        # Link your development version of the extension with JupyterLab
        jupyter labextension develop . --overwrite
        # Server extension must be manually installed in develop mode
        jupyter server extension enable jlab_aiidatree
        # Rebuild extension Typescript source after making changes
        jlpm run build
        ```
        
        You can watch the source directory and run JupyterLab at the same time in different terminals to watch for changes in the extension's source and automatically rebuild the extension.
        
        ```bash
        # Watch the source directory in one terminal, automatically rebuilding when needed
        jlpm run watch
        # Run JupyterLab in another terminal
        jupyter lab
        ```
        
        With the watch command running, every saved change will immediately be built locally and available in your running JupyterLab. Refresh JupyterLab to load the change in your browser (you may need to wait several seconds for the extension to be rebuilt).
        
        By default, the `jlpm run build` command generates the source maps for this extension to make it easier to debug using the browser dev tools. To also generate source maps for the JupyterLab core extensions, you can run the following command:
        
        ```bash
        jupyter lab build --minimize=False
        ```
        
        ### Development uninstall
        
        ```bash
        # Server extension must be manually disabled in develop mode
        jupyter server extension disable jlab_aiidatree
        pip uninstall jlab_aiidatree
        ```
        
        In development mode, you will also need to remove the symlink created by `jupyter labextension develop`
        command. To find its location, you can run `jupyter labextension list` to figure out where the `labextensions`
        folder is located. Then you can remove the symlink named `jlab_aiidatree` within that folder.
        
Keywords: Jupyter,JupyterLab,JupyterLab3
Platform: Linux
Platform: Mac OS X
Platform: Windows
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Framework :: Jupyter
Requires-Python: >=3.6
Description-Content-Type: text/markdown
