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Add dockerfile and test script #79

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23 changes: 23 additions & 0 deletions Dockerfile.dockerfile
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FROM python:3

WORKDIR /root

# check basic installed packages
RUN apt-get --version
RUN git --version
RUN bash --version

RUN apt-get update
RUN apt-get install -y vim


COPY ./aquapointer /root/aquapointer

WORKDIR /root/aquapointer

# Install packages

COPY requirements.txt ./
RUN pip install --no-cache-dir -r requirements.txt

CMD [ "python", "analog/automated_analog_flow.py" ]
3 changes: 3 additions & 0 deletions README.md
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Expand Up @@ -11,6 +11,9 @@ Package applying quantum algorithms to find locations of water molecules in a pr
## Getting started
You can use [this notebook](notebooks/aquapointer_demo.ipynb) to get started with aquapointer.

Alternatively, if you prefer to run from Docker, you can use the command: `$ docker run -it --rm --name my-running-script -v "$PWD":/usr/src/myapp -w /usr/src/myapp python:3 python your-daemon-or-script.py`


## Installing aquapointer
From the top level of the repository, where the `setup.py` file is found, just run
```
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1 change: 1 addition & 0 deletions aquapointer/analog/automated_analog_flow.py
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print("aquapointer")