chore: docker helper scripts

docker/scripts/install_print_test.sh

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+#!/bin/bash
+# Scripts to quickly obtain all relevant information out of a new nvidia pytorch container.
+
+# Container setup
+apt update && DEBIAN_FRONTEND=noninteractive apt install -y build-essential openssh-client python3-dev git && apt clean && rm -rf /var/lib/apt/lists/*
+
+# Setup heat dependencies
+git clone https://github.com/helmholtz-analytics/heat.git
+cd heat
+pip install --upgrade pip
+pip install mpi4py --no-binary :all:
+pip install .[netcdf,hdf5,dev]
+
+# Print environment
+pip list | grep heat
+pip list | grep torch
+python --version
+nvcc --version
+mpirun --version
+
+# Run tests
+HEAT_TEST_USE_DEVICE=gpu mpirun -n 1 pytest heat/

docker/scripts/test_nvidia_image_haicore_enroot.sh

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+#!/bin/bash
+
+# Clear environment, else mpi4py will fail to install.
+ml purge
+
+SBATCH_PARAMS=(
+	--partition 	   normal
+	--time      	   00:10:00
+	--nodes     	   1
+	--tasks-per-node   1
+	--gres		   gpu:1
+	--container-image  ~/containers/nvidia+pytorch+23.05-py3.sqsh
+	--container-writable
+	--container-mounts /etc/slurm/task_prolog.hk:/etc/slurm/task_prolog.hk,/scratch:/scratch
+	--container-mount-home
+)
+
+sbatch "${SBATCH_PARAMS[@]}" ./install_print_test.sh