Bootstrap: docker
From: continuumio/miniconda3

%post
     echo `pwd`
     apt install unzip
     git clone https://github.com/bmd-drepecka/ProteinGAN.git
     /opt/conda/bin/conda install -y tensorflow-gpu==1.14 pandas sympy biopython
     /opt/conda/bin/conda install -y -c bioconda blast
     pip install tensorflow_probability==0.7
     cd ProteinGAN
     mkdir weights
     mkdir -p data/protein
     cd data/protein/
     wget https://zenodo.org/api/files/e50281c7-8d49-4db8-8411-fc397afe25e7/Length_512_lab_test_37_v2.zip     
     unzip Length_512_lab_test_37_v2.zip
     cd ../../src/gan
%environment
     export PYTHONPATH=/ProteinGAN/src:/ProteinGAN/src/common:$PYTHONPATH
