diff --git a/mlt_modules.sh b/mlt_modules.sh new file mode 100755 index 0000000000000000000000000000000000000000..d20b246d4f396363a23e68d64f89b6d3abaee8c4 --- /dev/null +++ b/mlt_modules.sh @@ -0,0 +1,21 @@ +#!/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 $OTHERSTAGES + +ml Stages/Devel-2019a +ml GCCcore/.8.3.0 + +ml Jupyter/2019a-Python-3.6.8 +ml Python/3.6.8 +ml TensorFlow/1.13.1-GPU-Python-3.6.8 +ml Keras/2.2.4-GPU-Python-3.6.8 +ml SciPy-Stack/2019a-Python-3.6.8 +ml dask/1.1.5-Python-3.6.8 +ml GEOS/3.7.1-Python-3.6.8 +ml Graphviz/2.40.1 \ No newline at end of file diff --git a/setup_venv.sh b/setup_venv.sh new file mode 100755 index 0000000000000000000000000000000000000000..c740d587a2307201bda9e0d6eb3b1715c2d66629 --- /dev/null +++ b/setup_venv.sh @@ -0,0 +1,19 @@ +#!/bin/bash +# __author__ = Felix Kleinert +# __date__ = '2020-04-06' + +# This script creates a virtual env which contains all modules which are not available via slrum/easybuild (see mlt_modules.sh) + +# load existing modules +source mlt_modules.sh + +# create venv +python3 -m venv venv + +source venv/bin/activate + +# export path for side-packages +export PYTHONPATH=${PWD}/venv/lib/python3.6/site-packages:${PYTHONPATH} + +pip install -r requirements_JUWELS_outcommented.txt +