#!/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) # $1 has to be an abs path to HPC_setup. If not provided, $PWD is used # enter setting dir if called externally if [[ $1 != '' ]]; then cur=$1 else cur=$PWD fi # load existing modules source ${cur}mlt_modules_juwels.sh # create venv python3 -m venv ${cur}/../venv_juwels source ${cur}/../venv_juwels/bin/activate # export path for side-packages export PYTHONPATH=${cur}/../venv_juwels/lib/python3.6/site-packages:${PYTHONPATH} echo "##### START INSTALLING requirements_JUWELS_additionals.txt #####" pip install -r ${cur}/requirements_JUWELS_additionals.txt echo "##### FINISH INSTALLING requirements_JUWELS_additionals.txt #####" pip install -r ${cur}/requirements_JUWELS_additionals.txt pip install netcdf4 pip install --ignore-installed matplotlib==3.2.0 pip install --ignore-installed pandas==1.0.1 pip install -U typing_extensions # Comment: Maybe we have to export PYTHONPATH a second time ater activating the venv (after job allocation)