main

#!/bin/bash

#SBATCH --job-name=qsmxt
#SBATCH --ntasks-per-node=4
#SBATCH --mem=16G
#SBATCH --time=01:00:00

container=qsmxt_7.2.2_20241029
md5sum=fc2c9969ea4779a9fb6eb56a0e2145ad

echo "[INFO] Checking SINGULARITY_BINDPATH..."
echo $SINGULARITY_BINDPATH

echo "[INFO] Checking for existing container..."
if [[ -f "${container}.simg" ]]; then
    echo "[INFO] Found existing container."
    echo "[INFO] Checking md5sum..."
    if [[ "$(md5sum ${container}.simg | awk '{print $1}')" == "${md5sum}" ]]; then
        echo "[INFO] md5sum matched. Skipping download."
    else
        echo "[INFO] md5sum mismatch. Redownloading container."
        rm -f ${container}.simg
    fi
fi

if [[ ! -f "${container}.simg" ]]; then
    echo "[INFO] Pulling QSMxT singularity container... (US)"
    curl -s -X GET https://neurocontainers.neurodesk.org/${container}.simg -o ${container}.simg
    echo "[INFO] Finished pulling QSMxT singularity container!"
else
    echo "[INFO] Using existing container."
fi

if [[ ! -f "${container}.simg" ]] || [[ "$(md5sum ${container}.simg | awk '{print $1}')" != "${md5sum}" ]]; then
    echo "[ERROR] Container not found or md5sum mismatch. Exiting..."
    exit 1
fi

echo "[INFO] Current directory is $(pwd)"
echo "[INFO] Listing files in current directory $(ls)"
ls -l

echo "[INFO] Installing pip dependencies..."
singularity exec ${container}.simg pip install -U pip
singularity exec ${container}.simg pip install -U scikit-image

echo "[INFO] Starting main.py..."
singularity exec ${container}.simg python3 main.py