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 12.2 support:
docker pull ghcr.io/deepmodeling/deepmd-kit:devel
For CUDA 11.8 support, use the devel_cu11
tag.
Below is an one-line shell command to download the artifact containing wheels and install it with pip
:
pip install -U --pre deepmd-kit[gpu,cu12,lmp] --extra-index-url https://deepmodeling.github.io/deepmd-kit/simple
cu12
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-0-libdeepmd_c.tar.gz.zip && unzip libdeepmd_c-0-libdeepmd_c.tar.gz.zip
Pre-release conda-forge packages are in conda-forge/label/deepmd-kit_dev
or conda-forge/label/deepmd-kit_rc
channels, other than the conda-forge
channel.
See conda-forge documentation for more information.