#!/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_hdfml.sh) # enter setting dir if called externally # $1 has to be an abs path to HPC_setup. If not provided, $PWD is used if [[ $1 != '' ]]; then cur=$1 else cur=$PWD fi # load existing modules source ${cur}mlt_modules_hdfml.sh # create venv python3 -m venv ${cur}../venv_hdfml source ${cur}/../venv_hdfml/bin/activate # export path for side-packages export PYTHONPATH=${cur}/../venv_hdfml/lib/python3.9/site-packages:${PYTHONPATH} echo "##### START INSTALLING requirements_HDFML_additionals.txt #####" pip install -r ${cur}/requirements_HDFML_additionals.txt echo "##### FINISH INSTALLING requirements_HDFML_additionals.txt #####" # pip install --ignore-installed matplotlib==3.2.0 # pip install --ignore-installed pandas==1.0.1 # pip install --ignore-installed statsmodels==0.11.1 # pip install --ignore-installed tabulate # pip install -U typing_extensions # see wiki on hdfml for information oh h5py: # https://gitlab.version.fz-juelich.de/haf/Wiki/-/wikis/HDF-ML%20System export CC=mpicc export HDF5_MPI="ON" pip install --no-binary=h5py h5py # pip install --ignore-installed netcdf4==1.5.4