apptainer.def

Bootstrap: docker
From: nvcr.io/nvidia/pytorch:23.06-py3

%files
    /path/to/requirements.txt /app/requirements.txt
    ./.env /app/.env

%post
    apt-get update && apt-get install -y python3-pip
    pip3 install -r /app/requirements.txt
    pip3 install --user torch torchvision torchaudio

%environment
    export WANDB_API_KEY=$(cat /app/.env | grep WANDB_API_KEY | cut -d '=' -f 2)
    export WANDB_BASE_URL=$(cat /app/.env | grep WANDB_BASE_URL | cut -d '=' -f 2)

%runscript
    exec /bin/bash "$@"

%help
    To run the container:
        apptainer run --nv -B /path/to/slurm-pytorch-ddp-boilerplate:/app -B /path/to/data:/data slurm-pytorch-ddp-boilerplate.sif /path/to/script.py --arg1 --arg2