finally get singularity working

gpu_docker/cuda_build.sh

@@ -1,10 +1,15 @@
+#!/bin/bash
+
 if [ $# -lt 1 ]; then
     echo "Error: At least one argument is required."
     exit 1
 fi
 
 export AFQ_PATH="$( cd "$( dirname "${BASH_SOURCE[0]}" )/.." && pwd )"
-export CUDA_DIR="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
 
-apptainer build ${1} ${CUDA_DIR}/cuda_track.def
+sed "s|PLACEHOLDER_FOR_PACKAGE_PATH|${AFQ_PATH}|g" ${AFQ_PATH}/gpu_docker/cuda_track_template.def > ${AFQ_PATH}/gpu_docker/_temp.def
+
+apptainer build ${1} ${AFQ_PATH}/gpu_docker/_temp.def
+
+rm ${AFQ_PATH}/gpu_docker/_temp.def
 

gpu_docker/cuda_track.def → gpu_docker/cuda_track_template.def

@@ -1,17 +1,8 @@
 Bootstrap: docker
 From: nvidia/cuda:12.0.1-devel-ubuntu20.04
 
-%pre
-    if [ -z "${AFQ_PATH}" ]; then
-        echo "Error: AFQ_PATH is not set." >&2
-        exit 1
-    else
-        echo "AFQ_PATH is set to '$AFQ_PATH'"
-        echo $AFQ_PATH > /tmp/afq_path.txt
-    fi
-
 %files
-    /tmp/afq_path.txt /tmp/afq_path.txt
+    PLACEHOLDER_FOR_PACKAGE_PATH /opt/pyAFQ
 
 %environment
     export DEBIAN_FRONTEND=noninteractive
@@ -64,9 +55,7 @@ From: nvidia/cuda:12.0.1-devel-ubuntu20.04
     cd /opt/GPUStreamlines/build/cuslines && pip install -e .
 
     # Install pyAFQ
-    AFQ_PATH=$(cat /tmp/afq_path.txt)
-    pip install -e $AFQ_PATH
-    rm /tmp/afq_path.txt  # Clean up the temporary file
+    pip install -e /opt/pyAFQ
 
 %runscript
     exec /opt/pyAFQ/bin/pyAFQ "$@"