From 153d26e9e027f1e10d326c3415e9902f644f8843 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Fri, 3 Nov 2023 16:35:18 -0400 Subject: [PATCH] update cu11 to cu12 --- .github/workflows/test_cuda.yml | 2 +- doc/install/easy-install-dev.md | 4 ++-- doc/install/easy-install.md | 8 ++++---- source/install/docker/Dockerfile | 2 +- 4 files changed, 8 insertions(+), 8 deletions(-) diff --git a/.github/workflows/test_cuda.yml b/.github/workflows/test_cuda.yml index feedee17e0..17443628a0 100644 --- a/.github/workflows/test_cuda.yml +++ b/.github/workflows/test_cuda.yml @@ -37,7 +37,7 @@ jobs: run: python -m pip config --user set global.index-url https://mirrors.aliyun.com/pypi/simple/ - run: python -m pip install -U "pip>=21.3.1,!=23.0.0" - run: python -m pip install "tensorflow>=2.15.0rc0" - - run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz" + - run: python -m pip install -v -e .[gpu,test,lmp,cu12] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz" env: DP_BUILD_TESTING: 1 DP_VARIANT: cuda diff --git a/doc/install/easy-install-dev.md b/doc/install/easy-install-dev.md index dd943c37af..f3d4fa1a32 100644 --- a/doc/install/easy-install-dev.md +++ b/doc/install/easy-install-dev.md @@ -17,10 +17,10 @@ docker pull ghcr.io/deepmodeling/deepmd-kit:devel Below is an one-line shell command to download the [artifact](https://nightly.link/deepmodeling/deepmd-kit/workflows/build_wheel/devel/artifact.zip) containing wheels and install it with `pip`: ```sh -pip install -U --pre deepmd-kit[gpu,cu11,lmp] --extra-index-url https://deepmodeling.github.io/deepmd-kit/simple +pip install -U --pre deepmd-kit[gpu,cu12,lmp] --extra-index-url https://deepmodeling.github.io/deepmd-kit/simple ``` -`cu11` and `lmp` are optional, which is the same as the stable version. +`cu12` and `lmp` are optional, which is the same as the stable version. ## Download pre-compiled C Library diff --git a/doc/install/easy-install.md b/doc/install/easy-install.md index f033310f8f..7bd632694b 100644 --- a/doc/install/easy-install.md +++ b/doc/install/easy-install.md @@ -84,13 +84,13 @@ docker pull deepmodeling/dpmdkit-rocm:dp2.0.3-rocm4.5.2-tf2.6-lmp29Sep2021 ## Install Python interface with pip -If you have no existing TensorFlow installed, you can use `pip` to install the pre-built package of the Python interface with CUDA 11 supported: +If you have no existing TensorFlow installed, you can use `pip` to install the pre-built package of the Python interface with CUDA 12 supported: ```bash -pip install deepmd-kit[gpu,cu11] +pip install deepmd-kit[gpu,cu12] ``` -`cu11` is required only when CUDA Toolkit and cuDNN were not installed. +`cu12` is required only when CUDA Toolkit and cuDNN were not installed. Or install the CPU version without CUDA supported: ```bash @@ -99,7 +99,7 @@ pip install deepmd-kit[cpu] [The LAMMPS module](../third-party/lammps-command.md) and [the i-Pi driver](../third-party/ipi.md) are only provided on Linux and macOS. To install LAMMPS and/or i-Pi, add `lmp` and/or `ipi` to extras: ```bash -pip install deepmd-kit[gpu,cu11,lmp,ipi] +pip install deepmd-kit[gpu,cu12,lmp,ipi] ``` MPICH is required for parallel running. (The macOS arm64 package doesn't support MPI yet.) diff --git a/source/install/docker/Dockerfile b/source/install/docker/Dockerfile index c5fa878e2a..9ac905dcd0 100644 --- a/source/install/docker/Dockerfile +++ b/source/install/docker/Dockerfile @@ -4,7 +4,7 @@ RUN python -m venv /opt/deepmd-kit ENV PATH="/opt/deepmd-kit/bin:$PATH" # Install package COPY dist /dist -RUN pip install "$(ls /dist/deepmd_kit-*manylinux*_x86_64.whl)[gpu,cu11,lmp,ipi]" \ +RUN pip install "$(ls /dist/deepmd_kit-*manylinux*_x86_64.whl)[gpu,cu12,lmp,ipi]" \ && dp -h \ && lmp -h \ && dp_ipi \