test.def

BootStrap: library
From: ubuntu:20.04

%environment
    # set up all essential environment variables
    export LC_ALL=C
    export PATH=/miniconda3/bin:$PATH
    export PYTHONPATH=/miniconda3/lib/python3.9/:$PYTHONPATH
    
    # activate conda environment
    source activate base;
    conda activate;
    
%post
    # update and install essential dependencies
    apt-get -y update
    apt-get update && apt-get install -y automake build-essential bzip2 wget git default-jre unzip
    
    # download, install, and update miniconda3
    wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh
    bash Miniconda3-latest-Linux-x86_64.sh -b -f -p /miniconda3/
    rm Miniconda3-latest-Linux-x86_64.sh
    
    # install dependencies via conda
    export PATH="/miniconda3/bin:$PATH"
    conda install -y -c conda-forge pip numpy # general dependencies
    conda update --all
    
    # clone and install your github code
    git clone https://github.com/bartongroup/yanocomp.git
    cd yanocomp
    conda env create -f yanocomp.yml
    conda activate yanocomp

%labels
    Author Bhargava Reddy Morampalli
    Version v1.0
    MyLabel Yanocomp