Python Setup

Set up Python environments on DAIC.

Load pre-installed Python packages:

$ module load 2025/gpu
$ module load py-torch/2.5.1
$ module load py-numpy/1.26.4

$ python -c "import torch; print(torch.__version__)"
2.5.1

UV is a fast Python package manager.

Install UV

$ curl -LsSf https://astral.sh/uv/install.sh | sh

Create a project

$ cd /tudelft.net/staff-umbrella/<project>
$ uv init myproject
$ cd myproject
$ uv add torch numpy pandas

Run scripts

$ uv run python train.py

Install CLI tools

Install Python tools globally (ruff, black, jupyter, etc.):

$ uv tool install ruff
$ uv tool install jupyter

$ ruff --version
$ jupyter lab

List installed tools:

$ uv tool list

Use in batch scripts

#!/bin/bash
#SBATCH --account=<your-account>
#SBATCH --partition=all
#SBATCH --gres=gpu:1

module purge
module load 2025/gpu cuda/12.9

cd /tudelft.net/staff-umbrella/<project>/myproject
srun uv run python train.py

Option 3: Pixi (conda alternative)

Pixi is a fast conda-compatible package manager.

Install Pixi

$ curl -fsSL https://pixi.sh/install.sh | sh

Create a project

$ cd /tudelft.net/staff-umbrella/<project>
$ pixi init myproject
$ cd myproject
$ pixi add python pytorch numpy

Run commands

$ pixi run python train.py
$ pixi shell  # activate environment

Use in batch scripts

#!/bin/bash
#SBATCH --account=<your-account>
#SBATCH --partition=all
#SBATCH --gres=gpu:1

module purge
module load 2025/gpu cuda/12.9

cd /tudelft.net/staff-umbrella/<project>/myproject
srun pixi run python train.py

Option 4: Virtual environment

$ module load 2025/gpu
$ python -m venv /tudelft.net/staff-umbrella/<project>/venvs/myenv --system-site-packages

$ source /tudelft.net/staff-umbrella/<project>/venvs/myenv/bin/activate
$ pip install transformers

Option 5: Micromamba (global conda environments)

Micromamba is a lightweight conda implementation. Use it when you need traditional conda environments shared across projects.

Install Micromamba

$ "${SHELL}" <(curl -L micro.mamba.pm/install.sh)

Follow the prompts. When asked for install location, use your project storage:

/tudelft.net/staff-umbrella/<project>/micromamba

Create and use environments

$ micromamba create -n myenv python=3.11 pytorch numpy -c conda-forge -c pytorch
$ micromamba activate myenv

$ python -c "import torch; print(torch.__version__)"

Use in batch scripts

#!/bin/bash
#SBATCH --account=<your-account>
#SBATCH --partition=all
#SBATCH --gres=gpu:1

module purge
module load 2025/gpu cuda/12.9

eval "$(micromamba shell hook --shell bash)"
micromamba activate myenv

srun python train.py

Next steps