diff --git a/README.md b/README.md index fbcdd61..e5b41f6 100644 --- a/README.md +++ b/README.md @@ -48,37 +48,17 @@ and one of {`jackhmmer`, [MMseqs2](https://github.com/soedinglab/mmseqs2) (night installed on on your system. You'll need `git-lfs` to download OpenFold parameters. Finally, some download scripts require `aria2c` and `aws`. -For convenience, we provide a script that installs Miniconda locally, creates a -`conda` virtual environment, installs all Python dependencies, and downloads -useful resources, including both sets of model parameters. Run: +This package is currently supported for CUDA 11 and Pytorch 1.12 -```bash -scripts/install_third_party_dependencies.sh -``` +To install: +1. Clone the repository, e.g. `git clone https://github.com/aqlaboratory/openfold.git` +1. From the `openfold` repo: + - Create an [Anaconda/Mamba](https://docs.anaconda.com/free/anaconda/install/index.html) environment, e.g. `conda env create -n openfold_env` + - Activate the environment, e.g `conda activate openfold_env` +1. Run `scripts/install_third_party_dependencies.sh` to configure kernels and folding resources. -To activate the environment, run: +For some systems, it may help to append the Conda environment library path to `$LD_LIBRARY_PATH`. The `install_third_party_dependencies.sh` script does this once, but you may need this for each bash instance. -```bash -source scripts/activate_conda_env.sh -``` - -To deactivate it, run: - -```bash -source scripts/deactivate_conda_env.sh -``` - -With the environment active, compile OpenFold's CUDA kernels with - -```bash -python3 setup.py install -``` - -To install the HH-suite to `/usr/bin`, run - -```bash -# scripts/install_hh_suite.sh -``` ## Usage