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updating readme
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Kevin committed Jan 10, 2020
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Expand Up @@ -12,32 +12,38 @@ Flask app that uses `jsmol` to visualize the structure (and predictions). The co

## How to run the code

You have to options to run the code: You can either clone the repository and directly run the flask app.
You have to options to run the code: You can either clone the repository and directly run the flask app.

### Directly run flask app
- clone the repository

- clone the repository

- copy `compute` and `user_templates` to `webservice`

- install the requirements listed in both `requirements.txt` files
- install the requirements listed in both `requirements.txt` files

- python `run_app.py`

### Run docker image

- Build the docker image for the app based on the modified `tools-barebone` image (`docker build -t oximachine .`). You can use the `/build-docker.sh` scripts to do this.
- Build the docker image for the app based on the modified `tools-barebone` image (`docker build -t oximachine .`). You can use the `/build-docker.sh` scripts to do this.

```
./build-docker.sh # to build the tools-barbone
cd oximachine
./build-docker.sh # to build the oximachine
```

- Run the image `docker run -p 8091:80 -it oximachine` (and go to
`localhost:8091`)
- Then you can use it as shown in the screencast.
`localhost:8091`)

### How to use the app

The use of the web app is shown in the screencast.

![oximachine screencast](_static/oximachine.gif)

The app provides the option to upload a `cif` or to also choose from some examples.

## ToDo

Expand All @@ -57,7 +63,6 @@ cd oximachine

- [x] add a test for the container build


# Acknowledgment

- Materials Cloud team, especially [Leopold Talirz](https://github.com/ltalirz) for help with deployment and giving valuable feedback and providing a good template.
- Materials Cloud team, especially [Leopold Talirz](https://github.com/ltalirz) for help with deployment and giving valuable feedback and providing a good template.

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