Mirrors_Framework/deepmind-research
1
0
Fork 0
mirror of https://github.com/google-deepmind/deepmind-research.git synced 2026-09-28 03:20:19 +08:00
Code Issues Actions Packages Projects Releases Wiki Activity

Remove conda install instructions for DM21

Browse Source 
PiperOrigin-RevId: 447710907
This commit is contained in:
James Spencer
2022-05-26 17:45:01 +01:00
committed by alimuldal
parent f4916dadab
commit a97d8b1807
1 changed files with 0 additions and 17 deletions
Download Patch File Download Diff File Expand all files Collapse all files
density_functional_approximation_dm21/README.md
-17
View File
@@ -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: