[r2] v2.2.10

.github/ISSUE_TEMPLATE/bug-report.yml

@@ -21,10 +21,10 @@ body:
     validations:
       required: true
   - type: input
-    id: tf-version
+    id: backend-version
     attributes:
-      label: TensorFlow Version
-      description: "The version will be printed when running DeePMD-kit."
+      label: Backend and its version
+      description: "The backend and its version will be printed when running DeePMD-kit, e.g. TensorFlow v2.15.0."
     validations:
       required: true
   - type: dropdown

.github/ISSUE_TEMPLATE/generic-issue.yml

@@ -21,10 +21,10 @@ body:
     validations:
       required: true
   - type: input
-    id: tf-version
+    id: backend-version
     attributes:
-      label: TensorFlow Version
-      description: "The version will be printed when running DeePMD-kit."
+      label: Backend and its version
+      description: "The backend and its version will be printed when running DeePMD-kit, e.g. TensorFlow v2.15.0."
     validations:
       required: true
   - type: textarea

.github/labeler.yml

@@ -1,39 +1,39 @@
-Python:
-- changed-files:
-  - any-glob-to-any-file:
-    - deepmd/**/*
-    - deepmd_utils/**/*
-    - source/tests/**/*
-Docs:
-- changed-files:
-  - any-glob-to-any-file: doc/**/*
-Examples:
-- changed-files:
-  - any-glob-to-any-file: examples/**/*
-Core:
-- changed-files:
-  - any-glob-to-any-file: source/lib/**/*
-CUDA:
-- changed-files:
-  - any-glob-to-any-file: source/lib/src/gpu/**/*
-ROCM:
-- changed-files:
-  - any-glob-to-any-file: source/lib/src/gpu/**/*
-OP:
-- changed-files:
-  - any-glob-to-any-file: source/op/**/*
-C++:
-- changed-files:
-  - any-glob-to-any-file: source/api_cc/**/*
-C:
-- changed-files:
-  - any-glob-to-any-file: source/api_c/**/*
-LAMMPS:
-- changed-files:
-  - any-glob-to-any-file: source/lmp/**/*
-Gromacs:
-- changed-files:
-  - any-glob-to-any-file: source/gmx/**/*
-i-Pi:
-- changed-files:
-  - any-glob-to-any-file: source/ipi/**/*
+Python:
+  - changed-files:
+      - any-glob-to-any-file:
+          - deepmd/**/*
+          - deepmd_utils/**/*
+          - source/tests/**/*
+Docs:
+  - changed-files:
+      - any-glob-to-any-file: doc/**/*
+Examples:
+  - changed-files:
+      - any-glob-to-any-file: examples/**/*
+Core:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/**/*
+CUDA:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/src/gpu/**/*
+ROCM:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/src/gpu/**/*
+OP:
+  - changed-files:
+      - any-glob-to-any-file: source/op/**/*
+C++:
+  - changed-files:
+      - any-glob-to-any-file: source/api_cc/**/*
+C:
+  - changed-files:
+      - any-glob-to-any-file: source/api_c/**/*
+LAMMPS:
+  - changed-files:
+      - any-glob-to-any-file: source/lmp/**/*
+Gromacs:
+  - changed-files:
+      - any-glob-to-any-file: source/gmx/**/*
+i-Pi:
+  - changed-files:
+      - any-glob-to-any-file: source/ipi/**/*

.github/workflows/build_wheel.yml

@@ -77,10 +77,11 @@ jobs:
         if: matrix.dp_pkg_name == 'deepmd-kit-cu11'
       - run: |
           python -m pip install setuptools_scm
-          python -c "from setuptools_scm import get_version;print('SETUPTOOLS_SCM_PRETEND_VERSION_FOR_DEEPMD-KIT-CU11='+get_version())" >> $GITHUB_ENV
+          python -c "from setuptools_scm import get_version;print('SETUPTOOLS_SCM_PRETEND_VERSION='+get_version())" >> $GITHUB_ENV
+          rm -rf .git
         if: matrix.dp_pkg_name == 'deepmd-kit-cu11'
       - name: Build wheels
-        uses: pypa/cibuildwheel@v2.16
+        uses: pypa/cibuildwheel@v2.17
         env:
           CIBW_BUILD_VERBOSITY: 1
           CIBW_ARCHS: all
@@ -147,20 +148,20 @@ jobs:
           path: source/install/docker/dist
           merge-multiple: true
       - name: Log in to the Container registry
-        uses: docker/login-action@343f7c4344506bcbf9b4de18042ae17996df046d
+        uses: docker/login-action@v3
         with:
           registry: ghcr.io
           username: ${{ github.actor }}
           password: ${{ secrets.GITHUB_TOKEN }}
 
       - name: Extract metadata (tags, labels) for Docker
         id: meta
-        uses: docker/metadata-action@dbef88086f6cef02e264edb7dbf63250c17cef6c
+        uses: docker/metadata-action@v5
         with:
           images: ghcr.io/deepmodeling/deepmd-kit
 
       - name: Build and push Docker image
-        uses: docker/build-push-action@4a13e500e55cf31b7a5d59a38ab2040ab0f42f56
+        uses: docker/build-push-action@v5
         with:
           context: source/install/docker
           push: ${{ github.repository_owner == 'deepmodeling' && github.event_name == 'push' && github.actor != 'dependabot[bot]' }}

.github/workflows/package_c.yml

@@ -35,7 +35,7 @@ jobs:
       - name: Test C library
         run: ./source/install/docker_test_package_c.sh
       - name: Release
-        uses: softprops/action-gh-release@v1
+        uses: softprops/action-gh-release@v2
         if: startsWith(github.ref, 'refs/tags/')
         with:
           files: ${{ matrix.filename }}

.github/workflows/test_cc.yml

@@ -21,6 +21,10 @@ jobs:
         mpi: mpich
     - uses: lukka/get-cmake@latest
     - run: python -m pip install tensorflow
+    # https://github.com/actions/runner-images/issues/9491
+    - name: Fix kernel mmap rnd bits
+      run: sudo sysctl vm.mmap_rnd_bits=28
+      if: ${{ matrix.check_memleak }}
     - run: source/install/test_cc_local.sh
       env:
         OMP_NUM_THREADS: 1
@@ -34,7 +38,7 @@ jobs:
     # TODO: remove ase version when ase has new release
     - run: |
         python -m pip install -U pip
-        python -m pip install -e .[cpu,test,lmp] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
+        python -m pip install -e .[cpu,test,lmp] mpi4py "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
       env:
         DP_BUILD_TESTING: 1
       if: ${{ !matrix.check_memleak }}
@@ -55,9 +59,9 @@ jobs:
         PATH: ${{ github.workspace }}/dp_test/bin:$PATH
         LD_LIBRARY_PATH: ${{ github.workspace }}/dp_test/lib
       if: ${{ !matrix.check_memleak }}
-    - uses: codecov/codecov-action@v3
-      with:
-        gcov: true
+    - uses: codecov/codecov-action@v4
+      env:
+        CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
   pass:
     name: Pass testing C++
     needs: [testcc]

.github/workflows/test_cuda.yml

@@ -65,6 +65,14 @@ jobs:
         TF_INTER_OP_PARALLELISM_THREADS: 1
         LAMMPS_PLUGIN_PATH: ${{ github.workspace }}/dp_test/lib/deepmd_lmp
         CUDA_PATH: /usr/local/cuda-12.2
-    - uses: codecov/codecov-action@v3
+  pass:
+    name: Pass testing on CUDA
+    needs: [test_cuda]
+    runs-on: ubuntu-latest
+    if: always()
+    steps:
+    - name: Decide whether the needed jobs succeeded or failed
+      uses: re-actors/alls-green@release/v1
       with:
-        gcov: true
+        jobs: ${{ toJSON(needs) }}
+        allowed-skips: test_cuda

.github/workflows/test_python.yml

@@ -13,7 +13,7 @@ jobs:
             tf: 1.14
           - python: 3.8
             tf:
-          - python: "3.11"
+          - python: "3.12"
             tf:
 
     steps:
@@ -39,9 +39,9 @@ jobs:
         HOROVOD_WITHOUT_GLOO: 1
     - run: dp --version
     - run: pytest --cov=deepmd --cov=deepmd_utils source/tests --durations=0
-    - uses: codecov/codecov-action@v3
-      with:
-        gcov: true
+    - uses: codecov/codecov-action@v4
+      env:
+        CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}
   pass:
     name: Pass testing Python
     needs: [testpython]