update cu11 to cu12

deepmodeling · Nov 3, 2023 · 153d26e · 153d26e
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commit 153d26e
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diff --git 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
@@ -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
@@ -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
@@ -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 \