chore(deps): bump LAMMPS to stable_22Jul2025_update1 (#4955)

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- Documentation
- Updated installation guide to reference LAMMPS
stable_22Jul2025_update1 in all commands, paths, and environment
variables.

- Chores
- Bumped LAMMPS version to stable_22Jul2025_update1 across build and
test workflows.
  - Updated CI environment variables to use the new LAMMPS version.
  - Refreshed Python dependency pin for LAMMPS (mpi) to 2025.7.22.1.0.

- Tests
- Aligned test configurations to target LAMMPS stable_22Jul2025_update1.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->

Author: njzjz

.devcontainer/build_cxx.sh

@@ -13,7 +13,7 @@ cmake -D ENABLE_TENSORFLOW=ON \
 	-D ENABLE_PYTORCH=ON \
 	-D ENABLE_PADDLE=ON \
 	-D CMAKE_INSTALL_PREFIX=${SCRIPT_PATH}/../dp/ \
-	-D LAMMPS_VERSION=stable_22Jul2025 \
+	-D LAMMPS_VERSION=stable_22Jul2025_update1 \
 	-D CMAKE_BUILD_TYPE=Debug \
 	-D BUILD_TESTING:BOOL=TRUE \
 	-D TENSORFLOW_ROOT=${TENSORFLOW_ROOT} \

doc/install/install-lammps.md

@@ -17,11 +17,11 @@ DeePMD-kit will generate a module called `USER-DEEPMD` in the `build` directory,
 
 ```bash
 cd /some/workspace
-wget https://github.com/lammps/lammps/archive/stable_22Jul2025.tar.gz
-tar xf stable_22Jul2025.tar.gz
+wget https://github.com/lammps/lammps/archive/stable_22Jul2025_update1.tar.gz
+tar xf stable_22Jul2025_update1.tar.gz
 ```
 
-The source code of LAMMPS is stored in the directory `lammps-stable_22Jul2025`.
+The source code of LAMMPS is stored in the directory `lammps-stable_22Jul2025_update1`.
 
 Then, you can [build LAMMPS](https://docs.lammps.org/Build.html) with either make or CMake.
 
@@ -30,7 +30,7 @@ Then, you can [build LAMMPS](https://docs.lammps.org/Build.html) with either mak
 Now go into the LAMMPS code and copy the DeePMD-kit module like this
 
 ```bash
-cd lammps-stable_22Jul2025/src/
+cd lammps-stable_22Jul2025_update1/src/
 cp -r $deepmd_source_dir/source/build/USER-DEEPMD .
 make yes-kspace
 make yes-extra-fix
@@ -60,8 +60,8 @@ make no-user-deepmd
 Now go into the LAMMPS directory and create a directory called `build`:
 
 ```bash
-mkdir -p lammps-stable_22Jul2025/build/
-cd lammps-stable_22Jul2025/build/
+mkdir -p lammps-stable_22Jul2025_update1/build/
+cd lammps-stable_22Jul2025_update1/build/
 ```
 
 Patch the LAMMPS `CMakeLists.txt` file:
@@ -94,15 +94,15 @@ Now download the LAMMPS code (`8Apr2021` or later), and uncompress it:
 
 ```bash
 cd /some/workspace
-wget https://github.com/lammps/lammps/archive/stable_22Jul2025.tar.gz
-tar xf stable_22Jul2025.tar.gz
+wget https://github.com/lammps/lammps/archive/stable_22Jul2025_update1.tar.gz
+tar xf stable_22Jul2025_update1.tar.gz
 ```
 
-The source code of LAMMPS is stored in the directory `lammps-stable_22Jul2025`. The directory of the source code should be specified as the CMAKE argument `LAMMPS_SOURCE_ROOT` during installation of the DeePMD-kit C++ interface. Now go into the LAMMPS directory and create a directory called `build`
+The source code of LAMMPS is stored in the directory `lammps-stable_22Jul2025_update1`. The directory of the source code should be specified as the CMAKE argument `LAMMPS_SOURCE_ROOT` during installation of the DeePMD-kit C++ interface. Now go into the LAMMPS directory and create a directory called `build`
 
 ```bash
-mkdir -p lammps-stable_22Jul2025/build/
-cd lammps-stable_22Jul2025/build/
+mkdir -p lammps-stable_22Jul2025_update1/build/
+cd lammps-stable_22Jul2025_update1/build/
 ```
 
 Now build LAMMPS. Note that `PLUGIN` must be enabled, and `BUILD_SHARED_LIBS` must be set to `yes`. You can install any other package you want.

pyproject.toml

@@ -108,7 +108,7 @@ docs = [
     "sphinx-remove-toctrees",
 ]
 lmp = [
-    "lammps[mpi]~=2025.7.22.0.2",
+    "lammps[mpi]~=2025.7.22.1.0",
 ]
 ipi = [
     "ipi",
@@ -242,7 +242,7 @@ repair-wheel-command = """delocate-wheel --require-archs {delocate_archs} -w {de
 
 [tool.cibuildwheel.macos.environment]
 PIP_PREFER_BINARY = "1"
-DP_LAMMPS_VERSION = "stable_22Jul2025"
+DP_LAMMPS_VERSION = "stable_22Jul2025_update1"
 DP_ENABLE_IPI = "1"
 DP_ENABLE_PYTORCH = "1"
 DP_ENABLE_PADDLE = "1"
@@ -278,7 +278,7 @@ before-build = [
 ]
 [tool.cibuildwheel.linux.environment]
 PIP_PREFER_BINARY = "1"
-DP_LAMMPS_VERSION = "stable_22Jul2025"
+DP_LAMMPS_VERSION = "stable_22Jul2025_update1"
 DP_ENABLE_IPI = "1"
 DP_ENABLE_PYTORCH = "1"
 DP_ENABLE_PADDLE = "1"

source/install/build_cc.sh

@@ -26,7 +26,7 @@ cmake -D ENABLE_TENSORFLOW=ON \
 	-D USE_TF_PYTHON_LIBS=TRUE \
 	-D USE_PT_PYTHON_LIBS=TRUE \
 	${CUDA_ARGS} \
-	-D LAMMPS_VERSION=stable_22Jul2025 \
+	-D LAMMPS_VERSION=stable_22Jul2025_update1 \
 	..
 cmake --build . -j${NPROC}
 cmake --install .

source/install/build_from_c.sh

@@ -13,7 +13,7 @@ NPROC=$(nproc --all)
 BUILD_TMP_DIR=${SCRIPT_PATH}/../build
 mkdir -p ${BUILD_TMP_DIR}
 cd ${BUILD_TMP_DIR}
-cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DDEEPMD_C_ROOT=${DEEPMD_C_ROOT} -DLAMMPS_VERSION=stable_22Jul2025 ..
+cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DDEEPMD_C_ROOT=${DEEPMD_C_ROOT} -DLAMMPS_VERSION=stable_22Jul2025_update1 ..
 cmake --build . -j${NPROC}
 cmake --install .
 cmake --build . --target=lammps

source/install/build_lammps.sh

@@ -14,7 +14,7 @@ BUILD_TMP_DIR=${SCRIPT_PATH}/../build_lammps
 mkdir -p ${BUILD_TMP_DIR}
 cd ${BUILD_TMP_DIR}
 # download LAMMMPS
-LAMMPS_VERSION=stable_22Jul2025
+LAMMPS_VERSION=stable_22Jul2025_update1
 if [ ! -d "lammps-${LAMMPS_VERSION}" ]; then
 	curl -L -o lammps.tar.gz https://github.com/lammps/lammps/archive/refs/tags/${LAMMPS_VERSION}.tar.gz
 	tar vxzf lammps.tar.gz

source/install/test_cc.sh

@@ -17,7 +17,7 @@ INSTALL_PREFIX=${SCRIPT_PATH}/../../dp_test
 BUILD_TMP_DIR=${SCRIPT_PATH}/../build_tests
 mkdir -p ${BUILD_TMP_DIR}
 cd ${BUILD_TMP_DIR}
-cmake -DINSTALL_TENSORFLOW=TRUE -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DTENSORFLOW_ROOT=${INSTALL_PREFIX} -DBUILD_TESTING:BOOL=TRUE -DLAMMPS_VERSION=stable_22Jul2025 ${CUDA_ARGS} ..
+cmake -DINSTALL_TENSORFLOW=TRUE -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DTENSORFLOW_ROOT=${INSTALL_PREFIX} -DBUILD_TESTING:BOOL=TRUE -DLAMMPS_VERSION=stable_22Jul2025_update1 ${CUDA_ARGS} ..
 cmake --build . -j${NPROC}
 cmake --install .
 ctest --output-on-failure

source/install/test_cc_local.sh

@@ -28,7 +28,7 @@ cmake \
 	-D USE_PT_PYTHON_LIBS=TRUE \
 	-D CMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} \
 	-D BUILD_TESTING:BOOL=TRUE \
-	-D LAMMPS_VERSION=stable_22Jul2025 \
+	-D LAMMPS_VERSION=stable_22Jul2025_update1 \
 	${CUDA_ARGS} ..
 cmake --build . -j${NPROC}
 cmake --install .