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Remove conda install instructions for DM21
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PiperOrigin-RevId: 447710907
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jsspencer authored and alimuldal committed May 26, 2022
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Expand Up @@ -47,23 +47,6 @@ pip install '.[testing]'
py.test
```

Alternatively, conda can be used to manage the installation of the dependencies
instead. Please see the [conda documentation](https://docs.conda.io/en/latest/)
for install instructions. Both miniconda and anaconda work. Given a working
conda installation, and having cloned the deepmind_research repository :

```shell
conda create -n dm21
conda activate dm21
conda install absl-py "h5py<3.3.0" numpy pytest scipy tensorflow
conda install -c pyscf pyscf
conda install -c conda-forge tensorflow-hub
git clone https://github.com/deepmind/deepmind-research.git
cd deepmind-research/density_functional_approximation_dm21
pip install .
py.test
```

## PySCF interface

A typical DFT calculation with PySCF is set up and run using:
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