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Unverified Commit a1192c8d authored by Jennifer Wei's avatar Jennifer Wei Committed by GitHub
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Merge pull request #505 from etowahadams/update-install

docs: Add env var to install guide 
parents e605ec81 56277ea0
...@@ -4,7 +4,7 @@ In this guide, we will OpenFold and its dependencies. ...@@ -4,7 +4,7 @@ In this guide, we will OpenFold and its dependencies.
**Pre-requisites** **Pre-requisites**
This package is currently supported for CUDA 11 and Pytorch 1.12. All dependencies are listed in the [`environment.yml`](https://github.com/aqlaboratory/openfold/blob/main/environment.yml) This package is currently supported for CUDA 11 and Pytorch 1.12. All dependencies are listed in the [`environment.yml`](https://github.com/aqlaboratory/openfold/blob/main/environment.yml). To install OpenFold for CUDA 12, please refer to the [Environment specific modifications](#Environment-specific-modifications) section.
At this time, only Linux systems are supported. At this time, only Linux systems are supported.
...@@ -20,8 +20,15 @@ At this time, only Linux systems are supported. ...@@ -20,8 +20,15 @@ At this time, only Linux systems are supported.
- Activate the environment, e.g `conda activate openfold_env` - Activate the environment, e.g `conda activate openfold_env`
1. Run the setup script to configure kernels and folding resources. 1. Run the setup script to configure kernels and folding resources.
> scripts/install_third_party_dependencies.sh` > scripts/install_third_party_dependencies.sh`
1. Prepend the conda environment to the `$LD_LIBRARY_PATH`., e.g. 1. Prepend the conda environment to the `$LD_LIBRARY_PATH` and `$LIBRARY_PATH`., e.g.
`export $LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH`. You may optionally set this as a conda environment variable according to the [conda docs](https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html#saving-environment-variables) to activate each time the environment is used.
```
export LIBRARY_PATH=$CONDA_PREFIX/lib:$LIBRARY_PATH
export LD_LIBRARY_PATH=$CONDA_PREFIX/lib:$LD_LIBRARY_PATH
```
You may optionally set this as a conda environment variable according to the [conda docs](https://conda.io/projects/conda/en/latest/user-guide/tasks/manage-environments.html#saving-environment-variables) to activate each time the environment is used.
1. Download parameters. We recommend using a destination as `openfold/resources` as our unittests will look for the weights there. 1. Download parameters. We recommend using a destination as `openfold/resources` as our unittests will look for the weights there.
- For AlphaFold2 weights, use - For AlphaFold2 weights, use
> ./scripts/download_alphafold_params.sh <dest> > ./scripts/download_alphafold_params.sh <dest>
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