install.job

#!/bin/bash

#SBATCH --partition=gpu
#SBATCH --gpus=1
#SBATCH --job-name=install
#SBATCH --ntasks=1
#SBATCH --cpus-per-task=16
#SBATCH --time=02:00:00
#SBATCH --output=slurm_outputs/install_%A.out

module purge
module load 2023

# Create and activate the virtual environment
python3 -m venv --system-site-packages venv
source venv/bin/activate

# Upgrade build tools and packaging utilities
pip install --upgrade pip setuptools wheel packaging

# Install dependencies directly
pip install scipy pandas h5py numpy matplotlib ipykernel

# Attempt installing kaggle with no build isolation to avoid metadata issues
pip install --no-build-isolation kaggle

# Install PyTorch and Torchvision with specified CUDA version
pip install torch==2.5.1+cu124 torchvision==0.20.1+cu124 \
    --extra-index-url https://download.pytorch.org/whl/cu124

echo "Installation complete."