diff --git a/HPC_setup/mlt_modules_hdfml.sh b/HPC_setup/mlt_modules_hdfml.sh new file mode 100644 index 0000000000000000000000000000000000000000..0ecbc13f6bf7284e9a3500e158bfcd8bcfb13804 --- /dev/null +++ b/HPC_setup/mlt_modules_hdfml.sh @@ -0,0 +1,23 @@ +#!/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 $OTHERSTAGES + +ml Stages/2019a +ml GCCcore/.8.3.0 +ml Python/3.6.8 +ml TensorFlow/1.13.1-GPU-Python-3.6.8 +ml Keras/2.2.4-GPU-Python-3.6.8 +ml SciPy-Stack/2019a-Python-3.6.8 +ml dask/1.1.5-Python-3.6.8 +ml GEOS/3.7.1-Python-3.6.8 +ml Graphviz/2.40.1 + + + + diff --git a/HPC_setup/setup_venv_hdfml.sh b/HPC_setup/setup_venv_hdfml.sh new file mode 100644 index 0000000000000000000000000000000000000000..f6b0d5d5c9ccc80450088186fa2f6b182b26e084 --- /dev/null +++ b/HPC_setup/setup_venv_hdfml.sh @@ -0,0 +1,29 @@ +#!/bin/bash +# __author__ = Felix Kleinert +# __date__ = '2020-04-06' + +# This script creates a virtual env which contains all modules which are not available via slrum/easybuild (see mlt_modules_hdfml.sh) + +# load existing modules +source mlt_modules_hdfml.sh + +# create venv +python3 -m venv ../venv_hdfml + +source ../venv_hdfml/bin/activate + +# export path for side-packages +export PYTHONPATH=${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 + +