From 893bf312927cbe5f49875517a06f2df8d1e995c0 Mon Sep 17 00:00:00 2001 From: Markus Rosenstihl Date: Tue, 19 Aug 2025 15:07:52 +0200 Subject: [PATCH] added install script for mdevaluate for shared /nfsopt --- create_mdevaluate_module.sh | 71 +++++++++++++++++++++++++++++++++++++ 1 file changed, 71 insertions(+) create mode 100755 create_mdevaluate_module.sh diff --git a/create_mdevaluate_module.sh b/create_mdevaluate_module.sh new file mode 100755 index 0000000..5905480 --- /dev/null +++ b/create_mdevaluate_module.sh @@ -0,0 +1,71 @@ +#!/bin/bash + +CONDA_VERSION=2024.10 +PYTHON_VERSION=3.12 + +if [ -z "$1" ]; then + echo "No argument supplied, version to create expected" + exit 1 +fi + + +if [ ! -w "/nfsopt/mdevaluate"]; then + echo "Please remount /nfsopt writable" + exit 2 +fi + +MD_VERSION=$1 + +# purge evtl. loaded modules +module purge + + +echo "Create mdevaluate Python environemnt using conda" +echo "Using conda version: $CONDA_VERSION" +echo "Using Python version: $PYTHON_VERSION" + +module load anaconda3/$CONDA_VERSION +conda create -y --prefix /nfsopt/mdevaluate/mdevaluate-${MD_VERSION} \ + python=$PYTHON_VERSION +module purge + +echo "Create modulefile for mdevaluate/$MD_VERSION" +cat > /nfsopt/modulefiles/mdevaluate/$MD_VERSION <