[pull] master from deepmodeling:master

.devcontainer/README.md

@@ -13,7 +13,7 @@ The following packages are installed into the Python environment `.venv`:
 - LAMMPS
 - MPICH
 - CMake
-- pre-commit (including hooks)
+- prek (including hooks)
 - Test packages including pytest
 - Doc packages including sphinx
 

.devcontainer/build_py.sh

@@ -5,4 +5,4 @@ SCRIPT_PATH=$(dirname $(realpath -s $0))
 cd ${SCRIPT_PATH}/..
 
 uv sync --dev --python 3.12 --extra cpu --extra torch --extra jax --extra lmp --extra test --extra docs
-pre-commit install
+prek install

.devcontainer/devcontainer.json

@@ -6,7 +6,7 @@
   "features": {
     "ghcr.io/devcontainers/features/github-cli:1": {}
   },
-  "postCreateCommand": ".devcontainer/build_py.sh && .devcontainer/download_libtorch.sh && .devcontainer/build_cxx.sh && pre-commit install-hooks",
+  "postCreateCommand": ".devcontainer/build_py.sh && .devcontainer/download_libtorch.sh && .devcontainer/build_cxx.sh && prek install-hooks",
   "remoteEnv": {
     "PATH": "${containerEnv:PATH}:${containerWorkspaceFolder}/.venv/bin",
     "DP_ENABLE_PYTORCH": "1",

.github/ISSUE_TEMPLATE/bug-report.yml

@@ -37,6 +37,7 @@ body:
         - docker
         - pip
         - Built from source
+        - dp1s
         - Others (write below)
     validations:
       required: true

.github/workflows/copilot-setup-steps.yml

@@ -54,11 +54,11 @@ jobs:
       - name: Build Python package
         run: uv pip install -e .[cpu,test]
 
-      - name: Install pre-commit tools
-        run: uv tool install pre-commit
+      - name: Install prek tools
+        run: uv tool install prek
 
-      - name: Install pre-commit hooks
-        run: pre-commit install --install-hooks
+      - name: Install prek hooks
+        run: prek install --install-hooks
 
       - name: Verify installation
         run: |

.pre-commit-config.yaml

@@ -44,7 +44,7 @@ repos:
     hooks:
       - id: flake8
         additional_dependencies:
-          - torchfix==0.6.0
+          - torchfix==0.7.0
           - flake8-pyproject==1.2.3
   # numpydoc
   - repo: https://github.com/Carreau/velin

README.md

@@ -83,7 +83,19 @@ See [our v3 paper](https://doi.org/10.1021/acs.jctc.5c00340) for details of all
 
 ## Install and use DeePMD-kit
 
-Please read the [online documentation](https://deepmd.readthedocs.io/) for how to install and use DeePMD-kit.
+Just copy and paste in 1s, and let it run.
+
+```sh
+curl -fsSL https://dp1s.deepmodeling.com | bash
+```
+
+Please read the [online documentation](https://deepmd.readthedocs.io/) for details and alternative installation methods.
+
+Then, read on for a brief overview of the usage of DeePMD-kit. You may start with the first step:
+
+```sh
+dp
+```
 
 ## Code structure
 

doc/development/coding-conventions.rst

@@ -145,12 +145,12 @@ style with some modifications.
 Run scripts to check the code
 =============================
 
-It's a good idea to install `pre-commit <https://pre-commit.com>`_ on your repository:
+It's a good idea to install `prek <https://github.com/j178/prek>`_ on your repository:
 
 .. code-block:: bash
 
-    $ pip install pre-commit
-    $ pre-commit install
+    $ uv tool install prek
+    $ prek install
 
 The scripts will be run automatically before each commit and will fix the code style
 issues automatically.

doc/install/easy-install.md

@@ -13,10 +13,15 @@ You can refer to [DeepModeling conda FAQ](https://docs.deepmodeling.com/faq/cond
 Python 3.10 or above is required for Python interface.
 :::
 
-- [Install off-line packages](#install-off-line-packages)
-- [Install with conda](#install-with-conda)
-- [Install with docker](#install-with-docker)
-- [Install Python interface with pip](#install-python-interface-with-pip)
+## Install DeePMD-kit in 1s
+
+Just copy and paste in 1s, and let it run.
+
+```sh
+curl -fsSL https://dp1s.deepmodeling.com | bash
+```
+
+More options are provided, as documented in the [dp1s repository](https://github.com/deepmodeling-activity/dp1s).
 
 ## Install off-line packages
 

pyproject.toml

@@ -146,7 +146,7 @@ dp = "deepmd.main:main"
 
 [dependency-groups]
 dev = [
-  "pre-commit",
+  "prek",
   "cmake",
   "mpich",
 ]