/big-map-registry_add_densityNEB

Registry for BIG-MAP apps and codes.

Primary LanguagePythonMIT LicenseMIT

BIG-MAP Application Registry

This repository contains the source code of the official app registry for the BIG-MAP project.

Adding an app to the registry

All apps that are part of this registry, must adhere to the following requirements (required by the European Commission):

  • The app's hosted source code repository (e.g., on GitHub) is publicly accessible.
  • The repository specifies the app's open-source license (e.g., in license.txt). You can find a list of approved open-source licenses here.
  • The repository makes suitable acknowledgment to the funding by the European Commission (e.g., in README.txt):
This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 957189.
  • The repository provides sufficient technical documentation on how to install and run the software. This can be achieved via a README file, a Wiki page, or a software documentation hosting platform such as Read The Docs. Please pay particular attention to this, since it is a criterion the evaluators will use to test the apps.

Apps are added to the registry by adding an entry to the apps.yaml file within this repository.

Feel free to propose a new app category to be added to category.yaml before or after adding your app.

  1. Create a pull request to this repository that adds a new entry to the apps.yaml file, e.g., by editing the file directly in the browser. Example:

    my-big-map-app:
      metadata:
        title: MyBIG-MAP app
        description: |
            My BIG-MAP app helps to promote accelerated discovery
            of novel battery materials.
        authors: A. Doe, B. Doe
        external_url: http://my-app.example.com
        documentation_url: https://my-big-map-app.readthedocs.io
        logo: https://github.com/my-org/my-big-map-app/raw/main/logo.png
        state: development
        version: '1.1'
      categories:
        - technology-aiida
        - technology-ase
        - quantum
        - WP9

    Note: Only the metadata fields title and description are mandatory; the categories field must contain at least one item.

  2. Your app will show up in the BIG-MAP App Store once your pull request is approved and merged.

Tip: The app store supports the $ref syntax to reference externally hosted documents. That means you can reference metadata that is hosted at a different location, which makes it easier to dynamically update it. For example, if you place a metadata.yaml file within your app repository, then you can reference that file in the app store like this:

my-big-map-app:
  metadata:
    $ref: https://github.com/my-org/my-big-map-app/raw/main/metadata.yaml
  categories:
    - technology-aiida
    - technology-ase
    - quantum
    - WP9

You can even reference only parts of the metadata, example:

my-big-map-app:
  metadata:
    title: MyBIG-MAP app
    description:
      $ref: https://github.com/my-org/my-big-map-app/raw/main/metadata.yaml#description
  categories:
    - technology-aiida
    - technology-ase
    - quantum
    - WP9

The app store will assume that external references are in JSON format unless the referenced path ends with .yaml or .yml.

Valid keys for app entries in apps.yaml

Key Requirement Description
metadata Mandatory General description of the app (see below).
categories Mandatory An array of categories, where each category must be one of the categories specified in categories.yaml.
git_url Optional Link to the source code git repository.

Valid keys for app metadata

Key Requirement Description
title Mandatory The title will be displayed in the list of apps in the application manager.
description Mandatory The description will be displayed on the detail page of your app.
authors Optional Comma-separated list of authors.
logo Optional Url to a logo file (png or jpg).
state Optional One of
- registered: lowest level - app may not yet be in a working state. Use this to secure a specific name.
- development: app is under active development, expect the occasional bug.
- stable: app can be used in production.
documentation_url Optional The link to the online documentation of the app (e.g. on Read The Docs).
external_url Optional General homepage for your app.

Information for maintainers

To prepare a development environment, please run the following steps:

$ pip install -r src/requirements.txt -r tests/requirements.txt
$ pre-commit install

This will install all requirements needed to run the git pre-commit hooks (linters), build the website locally, and execute the test framework.

To execute tests, run:

$ PYTHONPATH=src pytest

Executed tests include unit, integration, and validation tests. The validation tests check the validity of all schema files, the data files (e.g. apps.yaml and categories.yaml, and – if present – the configuration file (config.yaml).

To generate the website, simply execute the following script:

$ python src/build.py

The continuous-integration workflow is implemented with GitHub actions, which runs the pre-commit hooks, unit, integration, and validation tests. In addition, all commits on the main branch are automatically deployed to GitHub pages.

Acknowledgements

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 957189.