DeePMD-kit is actively developed in the devel branch. The documentation of the latest version matches the devel branch.
The following is the way to install the pre-compiled packages without building from source. All of them are built with GitHub Actions.
The devel tag is used to mark the latest development version with CUDA support:
docker pull ghcr.io/deepmodeling/deepmd-kit:develBelow is an one-line shell command to download the artifact containing wheels and install it with pip:
pip install -U --pre deepmd-kit[gpu,cu11,lmp] --extra-index-url https://deepmodeling.github.io/deepmd-kit/simplecu11 and lmp are optional, which is the same as the stable version.
The pre-comiled C library can be downloaded from here, or via a shell command:
wget https://nightly.link/deepmodeling/deepmd-kit/workflows/package_c/devel/libdeepmd_c.zip && unzip libdeepmd_c.zip