The code snippets assumes Bash shell (check with echo $SHELL).
I will refer to a user-writable location with $LOCAL. Typically, this could be for example ~/local/opt.
LOCAL=<some path>
Install Miniconda. (For alternative Python versions and operating systems, visit https://docs.conda.io/en/latest/miniconda.html.)
mkdir -p $LOCAL/Downloads
wget -P $LOCAL/Downloads https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh
bash $LOCAL/Downloads/Miniconda3-latest-Linux-x86_64.sh -p $LOCAL/miniconda3 -b
$LOCAL/miniconda3/bin/conda init
Restart your shell.
Install Poetry.
curl -sSL https://raw.githubusercontent.com/python-poetry/poetry/master/get-poetry.py | python -
source $HOME/.poetry/env
Install Jupyter.
conda create -n jupyter jupyterlab
Create and activate Conda environment.
conda create -n deepqmc python=3.8
conda activate deepqmc
Clone the project.
git clone git@github.com:deepqmc/deepqmc.git
cd deepqmc
Install Poetry dynamic versioning.
pip install poetry-dynamic-versioning
Install the project and run tests.
poetry install -E all
pytest
Install Ipykernel and install it to Jupyter.
pip install ipykernel
python -m ipykernel install --user --name=deepqmc
Launch JupyterLab and start a notebook with the deepqmc kernel.
conda run --no-capture-output -n jupyter jupyter lab