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Update readme to conform after migration to new repo (#7)
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unkcpz authored Feb 1, 2024
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# OPTIMADE client (in Voilà)

[![MaterialsCloud](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/CasperWA/voila-optimade-client/develop/docs/resources/mcloud_badge.json)](https://materialscloud.org/optimadeclient/)
[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/CasperWA/voila-optimade-client/develop?urlpath=%2Fvoila%2Frender%2FOPTIMADE-Client.ipynb)
[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/aiidalab/ipyoptimade/main?urlpath=%2Fvoila%2Frender%2Foptimade-client.ipynb)
[![codecov](https://codecov.io/gh/aiidalab/ipyoptimade/branch/master/graph/badge.svg)](https://codecov.io/gh/aiidalab/ipyoptimade)

Query for and import structures from [OPTIMADE](https://www.optimade.org) providers (COD, MaterialsCloud, NoMaD, Materials Project, ODBX, OQMD, and more ...).

Current supported OPTIMADE API versions: `1.0.0`, `1.0.0-rc.2`, `1.0.0-rc.1`, `0.10.1`
Current supported OPTIMADE API versions: `1.1.0`, `1.0.0`, `1.0.0-rc.2`, `1.0.0-rc.1`, `0.10.1`

## Run the client

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See the [OPTIMADE API specification](https://github.com/Materials-Consortia/OPTiMaDe/blob/master/optimade.rst) for the full list of filter options and their description.

In order to delve deeper into the details of a particular structure, you can also import and display `OptimadeResultsWidget`.
See the notebook [`OPTIMADE-Client.ipynb`](OPTIMADE-Client.ipynb) for an example of how to set up a general purpose OPTIMADE importer.
See the notebook [`optimade-client.ipynb`](optimade-client.ipynb) for an example of how to set up a general purpose OPTIMADE importer.

#### Embedded

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### Running application locally

First, you will need to install the package either from [PyPI](https://pypi.org/project/optimade-client) or by retrieving the git repository hosted on [GitHub](https://github.com/CasperWA/voila-optimade-client).

#### PyPI

```shell
pip install optimade-client[server]
```

#### GitHub

```shell
git clone https://github.com/CasperWA/voila-optimade-client.git
cd voila-optimade-client
pip install .[server]
```

Note, it is important to install the `server` extra in order to also install the `voila` package (and the `ase` package for a wider variety of download formats).

To now run the application (notebook) [`OPTIMADE-Client.ipynb`](OPTIMADE-Client.ipynb) you can simply run the command `optimade-client` in a terminal and go to the printed URL (usually <http://localhost:8866>) or pass the `--open-browser` option to let the program try to automatically open your default browser.

The application will be run in Voilà using Voilà's own `tornado`-based server.
The configuration will automatically be copied to Jupyter's configuration directory before starting the server.

```shell
optimade-client
```

For a list of all options that can be passed to `optimade-client` use the `-h/--help` option.
(Upcoming)

## Contribute

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