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Docker update
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vsoftco committed Aug 9, 2023
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29 changes: 0 additions & 29 deletions Dockerfile

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31 changes: 31 additions & 0 deletions docker/Dockerfile
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FROM ubuntu:latest
ENV TZ="America/Toronto"
RUN apt-get update && \
apt-get -y update && \
apt-get install -yq tzdata && \
ln -fs /usr/share/zoneinfo/America/Toronto /etc/localtime && \
dpkg-reconfigure -f noninteractive tzdata

RUN apt-get install -y build-essential python3.10 python3-pip python3-dev \
libeigen3-dev cmake sudo git vim

RUN pip3 -q install pip --upgrade
RUN pip3 install jupyter matplotlib numpy
RUN pip3 install git+https://github.com/softwareqinc/qpp

# Enable a normal user with sudo access
RUN useradd -m -c "softwareQ" sq
RUN echo '%sq ALL=(ALL) NOPASSWD:ALL' >> /etc/sudoers
USER sq

# Clone and install Quantum++
WORKDIR /home/sq
RUN git clone --depth 1 --branch main https://github.com/softwareqinc/qpp
WORKDIR /home/sq/qpp
RUN cmake -B build -DWITH_UNIT_TESTS=ON -DWITH_EXAMPLES=ON && \
sudo cmake --build build --target install
USER sq
WORKDIR /home/sq

# Create a notebook directory for Jupyter
RUN mkdir notebooks
23 changes: 23 additions & 0 deletions docker/README.md
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## Docker

A self-explanatory minimalistic Docker file is provided
in [`Dockerfile`](https://github.com/softwareqinc/qpp/tree/main/docker/Dockerfile).

Build the image by executing

```shell
docker build -t softwareq-qpp .
```

Run the Jupyter server in a container by executing

```shell
docker run -p8888:8888 -it --workdir=/home/sq/notebooks softwareq-qpp sh -c "jupyter notebook --port=8888 --no-browser --ip=0.0.0.0"
```

In case you want to use the Docker container as a development environment, mount
your directory (in this case the current directory) in a Docker container with

```shell
docker run --rm -it --workdir=/home/sq/hostdir -v ${PWD}:/home/sq/hostdir softwareq-qpp /bin/bash
```

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