1.9. Easy install the latest development version
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.
1.9.1. Install with docker
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.
1.9.2. Install with pip
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.
1.9.3. Download pre-compiled C Library
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
1.9.4. Pre-release conda-forge packages
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.