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yury-lysogorskiy merged 1 commit into from
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Document the 0.4.0 installation and macOS availability #114

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22 changes: 16 additions & 6 deletions docs/pacemaker/install.md
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Original file line number Diff line number Diff line change
Expand Up @@ -9,16 +9,26 @@ mamba activate ace

You can use `conda` instead of `mamba`.

## Install pacemaker and the GRACE backend
## Install pacemaker

```bash
python -m pip install --upgrade pip
python -m pip install 'python-ace==0.4.0rc1' 'tensorpotential==0.6.2.1' 'numpy>=2,<2.4' 'tensorflow~=2.20.0' 'tf-keras~=2.20.0'
python -m pip install 'python-ace==0.4.0'
```

The GRACE backend is published on PyPI as `tensorpotential`.
Use the versions above together; this backend release requires NumPy below
2.4 for pacemaker fitting.
Wheels are available for Linux, Apple Silicon, and Intel Macs.

## Add the GRACE fitting backend

On Linux or Apple Silicon, install:

```bash
python -m pip install 'tensorpotential==0.6.2.1' 'numpy>=2,<2.4' 'tensorflow~=2.20.0' 'tf-keras~=2.20.0'
```

GRACE is published as `tensorpotential`. Use these versions together: this
backend release requires NumPy below 2.4 for pacemaker fitting.
TensorFlow 2.20 does not provide Intel Mac wheels.

## Check the installation

Expand All @@ -27,7 +37,7 @@ python -m pip check
pacemaker --help
```

GPU fitting requires a compatible NVIDIA driver. To run on the CPU, set
On Linux, GPU fitting requires a compatible NVIDIA driver. To use the CPU, set
`CUDA_VISIBLE_DEVICES=-1` before starting pacemaker.

Continue with the [quick start](quickstart.md) to prepare data and run a fit.
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