Installation

AutoHF is a Python based tool, and so you should have a copy of your favorite version of Python around. If there isn’t a good version already installed, we recommend using miniforge to get started.

Note

Currently we recommend Python version 3.12, however any version >=3.9 will work

JAX is essential to AutoHF. Installing JAX with or without GPU support can be tricky however. When in doubt, create a new virtual environment (venv) and start from scratch.

Installation (GPU Support)

To install with GPU support, create a new virtual environment (recommended) and use pip

$ cd /path/to/autohf/
$ python -m venv venv
$ . venv/bin/activate
$ pip install .[cuda12]

CUDA 13, 12, and 11 are supported using cuda13, cuda12, and cuda11, respectively.

Tip

JAX will crash if there is no GPU found when installed with GPU support. To circumvent this, AutoHF can by default enforce a CPU mode. Use gpu=False in the settings for this behavior. Likewise, be sure to use gpu=True when you want to use the GPU.

Look for [CudaDevice(id=0)] in AutoHF output to ensure GPU support is working properly

Installation (CPU Only)

$ cd /path/to/autohf/
$ python -m venv venv
$ . venv/bin/activate
$ pip install .

Common Pitfalls

Install the CPU version and want to swap the GPU version? You can run pip install -U jax[cuda12] and ensure that jaxlib is the correct version
The examples all assume CPU only. This is enforced by the code
```
import os
os.environ["JAX_PLATFORMS"] = "cpu"
```
Remove this line to enable possible GPU support