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update cpu install step
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hatemhelal committed Nov 10, 2023
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Expand Up @@ -53,15 +53,15 @@ Additional notebooks in [notebooks](notebooks) demonstrate other aspects of the

PySCF on IPU requires Python 3.8, [JAX IPU experimental](https://github.com/graphcore-research/jax-experimental), [TessellateIPU library](https://github.com/graphcore-research/tessellate-ipu) and [Graphcore Poplar SDK 3.2](https://www.graphcore.ai/downloads).

We recommend upgrading `pip` to the latest stable release to prepare your enviroment.
We recommend upgrading `pip` to the latest stable release to prepare your environment.
```bash
pip install -U pip
```

This project is currently under active development.
For CPU simulations, we recommend installing `pyscf-ipu` from latest `main` branch as:
```bash
pip install pyscf-ipu@git+https://github.com/graphcore-research/pyscf-ipu
pip install pyscf-ipu[cpu]@git+https://github.com/graphcore-research/pyscf-ipu
```

and on IPU equipped machines:
Expand Down Expand Up @@ -128,4 +128,4 @@ Please use the following citation for the pyscf-ipu project:
booktitle={Thirty-seventh Conference on Neural Information Processing Systems Datasets and Benchmarks Track},
year={2023}
}
```
```

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