Tools for implementing and consuming OPTiMaDe APIs.
Project description
OPTiMaDe Python tools
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The aim of OPTiMaDe is to develop a common API, compliant with the JSON API 1.0 specification. This is to enable interoperability among databases that contain calculated properties of existing and hypothetical materials.
This repository contains a library of tools for implementing and consuming OPTiMaDe APIs using Python. It also contains a server validator tool, which may be called from the shell or used as a GitHub Action.
Status
Both the OPTiMaDe specification and this repository are under development.
The latest stable version can be obtained from PyPI pip install optimade or by cloning the master branch of this repository git clone git@github.com:Materials-Consortia/optimade-python-tools.
Installation
Installation instructions, for both the index meta-database, and for the main API can be found in INSTALL.md.
Contributing
Contribution guidelines and tips can be found in CONTRIBUTING.md.
GitHub Action - OPTiMaDe validator
This action runs optimade_validator from this repository on a running server.
Example usage
To run optimade_validator for an index meta-database at http://gh_actions_host:5001/v0 do the following:
Within the same job, first, start a server, e.g., using the docker-compose.yml setup from this repository, and then add the step
uses: Materials-Consortia/optimade-python-tools@master
with:
port: 5001
path: /v0
index: yes
To run optimade_validator for a regular OPTiMaDe deployed implementation, testing all possible versioned base URLs:
https://example.org:443/optimade/example/v0https://example.org:443/optimade/example/v0.10https://example.org:443/optimade/example/v0.10.1
uses: Materials-Consortia/optimade-python-tools@master
with:
protocol: https
domain: example.org
port: 443
path: /optimade/example
all versioned paths: True
Inputs
protocol
Optional Protocol for the OPTiMaDe URL.
Default: http
domain
Optional Domain for the OPTiMaDe URL (defaults to the GitHub Actions runner host).
Default: gh_actions_host
port
Optional Port for the OPTiMaDe URL.
Default: 5000
path
Optional Path for the OPTiMaDe (versioned) base URL - MUST start with /
Note: If all versioned paths is true, this MUST be un-versioned, e.g., /optimade or /, otherwise it MUST be versioned, e.g., the default value.
Default: /v0
all versioned paths
Optional Whether to test all possible versioned base URLs:
- /vMAJOR
- /vMAJOR.MINOR
- /vMAJOR.MINOR.PATCH
If this is 'true', the input 'path' MUST exempt the version part (e.g., '/optimade' instead of '/optimade/v0').
If this is 'false', the input 'path' MUST include the version part (e.g., '/optimade/v0' instead of '/optimade').
Default: false
index
Optional Whether or not this is an index meta-database.
Default: false
Links
- OPTiMaDe Specification, the human-readable specification that this library is based on.
- OpenAPI, the machine-readable format used to specify the OPTiMaDe API in
openapi.json. - Interactive documentation generated from
openapi.json(see also interactive JSON editor). - pydantic, the library used for generating the OpenAPI schema from Python models.
- FastAPI, the framework used for generating the reference implementation from the
openapi.jsonspecification. - lark, the library used to parse the filter language in OPTiMaDe queries.
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