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lines changed Original file line number Diff line number Diff line change @@ -47,23 +47,6 @@ pip install '.[testing]'
4747py.test
4848```
4949
50- Alternatively, conda can be used to manage the installation of the dependencies
51- instead. Please see the [ conda documentation] ( https://docs.conda.io/en/latest/ )
52- for install instructions. Both miniconda and anaconda work. Given a working
53- conda installation, and having cloned the deepmind_research repository :
54-
55- ``` shell
56- conda create -n dm21
57- conda activate dm21
58- conda install absl-py " h5py<3.3.0" numpy pytest scipy tensorflow
59- conda install -c pyscf pyscf
60- conda install -c conda-forge tensorflow-hub
61- git clone https://github.com/deepmind/deepmind-research.git
62- cd deepmind-research/density_functional_approximation_dm21
63- pip install .
64- py.test
65- ```
66-
6750## PySCF interface
6851
6952A typical DFT calculation with PySCF is set up and run using:
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