20220814_cobra_cplex.def

BootStrap: docker
From: fedora:latest

%labels
Maintainer Daniel Rodriguez

%setup
install -Dv \
        Downloads/cplex_studio2210.linux_x86_64.bin \
        ${SINGULARITY_ROOTFS}/opt/cplex_studio2210.linux_x86_64.bin
        
install -Dv \
        response.properties \
        ${SINGULARITY_ROOTFS}/opt/response.properties
%runscript
jupyter notebook

%environment



%post

#System files
dnf -y update
dnf -y install wget git python3-pip hostname sqlite python3-biopython python-pip-wheel python3-devel gcc



#jupyter
pip install 'wheel'

pip install \
	'jupyter' \
	'pandas' \
	'matplotlib' \
	'numpy' \
	'bokeh' \
	'escher' \
	'cobra' \
	'commmodelpy' \
	'equilibrator-api'
pip install markupsafe==2.0.1

#install CPLEX
./opt/cplex_studio2210.linux_x86_64.bin -f /opt/response.properties

python3 /opt/ibm/ILOG/CPLEX_Studio221/python/setup.py install