add stuff for hdfml

HPC_setup/mlt_modules_hdfml.sh

+#!/bin/bash
+# __author__ = Felix Kleinert
+# __date__  = '2020-04-29'
+
+# This script loads the required modules for mlt which are available on HDFML.
+# Note that some other packages have to be installed into a venv (see setup_venv_hdfml.sh).
+
+module --force purge
+module use $OTHERSTAGES
+
+ml Stages/2019a
+ml GCCcore/.8.3.0
+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
+
+
+
+

HPC_setup/setup_venv_hdfml.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_hdfml.sh)
+
+# load existing modules
+source mlt_modules_hdfml.sh
+
+# create venv
+python3 -m venv ../venv_hdfml
+
+source ../venv_hdfml/bin/activate
+
+# export path for side-packages 
+export PYTHONPATH=${PWD}/../venv_hdfml/lib/python3.6/site-packages:${PYTHONPATH}
+
+pip install -r requirements_HDFML_outcommented.txt
+pip install --ignore-installed matplotlib==3.2.0
+pip install --ignore-installed pandas==1.0.1
+
+# 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
+
+