clean up setup__venv and mlt_midules.sh

mlt_modules.sh

-#!/bin/bash
-# __author__ = Felix Kleinert
-# __date__  = '2020-04-06'
-
-# This script loads the required modules for mlt which are available on JUWELS. 
-# Note that some other packages have to be installed into a venv (see setup_venv.sh).
-
-module --force purge
-module use $OTHERSTAGES
-
-ml Stages/Devel-2019a
-ml GCCcore/.8.3.0
-
-ml Jupyter/2019a-Python-3.6.8
-ml Python/3.6.8
-ml TensorFlow/1.13.1-GPU-Python-3.6.8
-ml Keras/2.2.4-GPU-Python-3.6.8
-ml SciPy-Stack/2019a-Python-3.6.8
-ml dask/1.1.5-Python-3.6.8
-ml GEOS/3.7.1-Python-3.6.8
-ml Graphviz/2.40.1
\ No newline at end of file

setup_venv.sh

-#!/bin/bash
-# __author__ = Felix Kleinert
-# __date__  = '2020-04-06'
-
-# This script creates a virtual env which contains all modules which are not available via slrum/easybuild (see mlt_modules.sh)
-
-# load existing modules
-source mlt_modules.sh
-
-# create venv 
-python3 -m venv venv
-
-source venv/bin/activate
-
-# export path for side-packages 
-export PYTHONPATH=${PWD}/venv/lib/python3.6/site-packages:${PYTHONPATH}
-
-pip install -r requirements_JUWELS_outcommented.txt
-pip install --ignore-installed matplotlib==3.2.0
-
-# Comment: Maybe we have to export PYTHONPATH a second time ater activating the venv (after job allocation)
-# source venv/bin/activate
-# alloc_develgpu
-# source venv/bin/activate
-# export PYTHONPATH=${PWD}/venv/lib/python3.6/site-packages:${PYTHONPATH}
-# srun python run.py
-
-# create batch run scripts
-source create_runscripts_HPC.sh
-