pyg-team
Showing 449 changed files with 16,491 additions and 3,616 deletions.
diff --git a/.github/actions/setup/action.yml b/.github/actions/setup/action.yml
@@ -0,0 +1,42 @@
+name: Setup
+
+inputs:
+  python-version:
+    required: false
+    default: '3.9'
+  torch-version:
+    required: false
+    default: '1.13.0'
+  cuda-version:
+    required: false
+    default: cpu
+  torchvision-version:
+    required: false
+    default: '0.14.0'
+
+runs:
+  using: composite
+
+  steps:
+    - name: Set up Python ${{ inputs.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ inputs.python-version }}
+
+    - name: Install PyTorch ${{ inputs.torch-version }}+${{ inputs.cuda-version }}
+      run: |
+        pip install torch==${{ inputs.torch-version }} torchvision==${{ inputs.torchvision-version }} --extra-index-url https://download.pytorch.org/whl/${{ inputs.cuda-version }}
+        python -c "import torch; print('PyTorch:', torch.__version__)"
+        python -c "import torch; print('CUDA:', torch.version.cuda)"
+      shell: bash
+
+    - name: Install extension packages
+      run: |
+        pip install torch-scatter torch-sparse torch-cluster torch-spline-conv -f https://data.pyg.org/whl/torch-${{ inputs.torch-version }}+${{ inputs.cuda-version }}.html
+      shell: bash
+
+    - name: Install pyg-lib
+      if: ${{ runner.os == 'Linux' }}  # pyg-lib is currently only available on Linux.
+      run: |
+        pip install pyg-lib -f https://data.pyg.org/whl/nightly/torch-${{ inputs.torch-version }}+${{ inputs.cuda-version }}.html
+      shell: bash
diff --git a/.github/labeler.yml b/.github/labeler.yml
@@ -0,0 +1,34 @@
+documentation:
+  - docs/**/*
+
+example:
+  - examples/**/*
+
+data:
+  - torch_geometric/data/**/*
+
+dataset:
+  - torch_geometric/datasets/**/*
+
+loader:
+  - torch_geometric/loader/**/*
+
+nn:
+  - torch_geometric/nn/**/*
+
+explain:
+  - torch_geometric/explain/**/*
+
+transform:
+  - torch_geometric/transforms/**/*
+
+utils:
+  - torch_geometric/utils/**/*
+
+graphgym:
+  - graphgym/**/*
+  - torch_geometric/graphgym/**/*
+
+benchmark:
+  - benchmark/**/*
+  - torch_geometric/profile/**/*
diff --git a/.github/workflows/building_pyg_conda.yml b/.github/workflows/building_pyg_conda.yml
@@ -10,30 +10,33 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-18.04, macos-10.15, windows-2019]
+        # We have trouble building for Windows - drop for now.
+        os: [ubuntu-18.04, macos-10.15]  # windows-2019
         python-version: ['3.7', '3.8', '3.9', '3.10']
-        torch-version: [1.11.0, 1.12.0]
-        cuda-version: ['cpu', 'cu102', 'cu113', 'cu115', 'cu116']
+        torch-version: [1.13.0]  # [1.12.0, 1.13.0]
+        cuda-version: ['cpu', 'cu102', 'cu113', 'cu116', 'cu117']
         exclude:
-          - torch-version: 1.11.0
-            cuda-version: 'cu116'
           - torch-version: 1.12.0
-            cuda-version: 'cu115'
+            cuda-version: 'cu117'
+          - torch-version: 1.13.0
+            cuda-version: 'cu102'
+          - torch-version: 1.13.0
+            cuda-version: 'cu113'
           - os: macos-10.15
             cuda-version: 'cu102'
           - os: macos-10.15
             cuda-version: 'cu113'
-          - os: macos-10.15
-            cuda-version: 'cu115'
           - os: macos-10.15
             cuda-version: 'cu116'
+          - os: macos-10.15
+            cuda-version: 'cu117'
           - os: windows-2019
             cuda-version: 'cu102'
-          - os: windows-2019  # Complains about CUDA mismatch.
-            python-version: '3.7'
 
     steps:
-      - uses: actions/checkout@v3
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
       - name: Set up Conda for Python ${{ matrix.python-version }}
         uses: conda-incubator/setup-miniconda@v2
         with:

diff --git a/.github/workflows/building_rusty1s_conda.yml b/.github/workflows/building_rusty1s_conda.yml
@@ -10,30 +10,33 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-18.04, macos-10.15, windows-2019]
+        # We have trouble building for Windows - drop for now.
+        os: [ubuntu-18.04, macos-10.15]  # windows-2019
         python-version: ['3.7', '3.8', '3.9', '3.10']
-        torch-version: [1.11.0, 1.12.0]
-        cuda-version: ['cpu', 'cu102', 'cu113', 'cu115', 'cu116']
+        torch-version: [1.13.0]  # [1.12.0, 1.13.0]
+        cuda-version: ['cpu', 'cu102', 'cu113', 'cu116', 'cu117']
         exclude:
-          - torch-version: 1.11.0
-            cuda-version: 'cu116'
           - torch-version: 1.12.0
-            cuda-version: 'cu115'
+            cuda-version: 'cu117'
+          - torch-version: 1.13.0
+            cuda-version: 'cu102'
+          - torch-version: 1.13.0
+            cuda-version: 'cu113'
           - os: macos-10.15
             cuda-version: 'cu102'
           - os: macos-10.15
             cuda-version: 'cu113'
-          - os: macos-10.15
-            cuda-version: 'cu115'
           - os: macos-10.15
             cuda-version: 'cu116'
+          - os: macos-10.15
+            cuda-version: 'cu117'
           - os: windows-2019
             cuda-version: 'cu102'
-          - os: windows-2019  # Complains about CUDA mismatch.
-            python-version: '3.7'
 
     steps:
-      - uses: actions/checkout@v3
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
       - name: Set up Conda for Python ${{ matrix.python-version }}
         uses: conda-incubator/setup-miniconda@v2
         with:

diff --git a/.github/workflows/changelog.yml b/.github/workflows/changelog.yml
@@ -2,14 +2,15 @@ name: Changelog Enforcer
 
 on:  # yamllint disable-line rule:truthy
   pull_request:
+    types: [opened, synchronize, reopened, ready_for_review, labeled, unlabeled]
 
 jobs:
 
   changelog:
     runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
-      - uses: dangoslen/changelog-enforcer@v3
+      - name: Enforce changelog entry
+        uses: dangoslen/changelog-enforcer@v3
         with:
           skipLabels: 'skip-changelog'
diff --git a/.github/workflows/codeql_analysis.yml b/.github/workflows/codeql_analysis.yml
diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml
@@ -9,34 +9,20 @@ on:  # yamllint disable-line rule:truthy
 jobs:
 
   make_html:
-    runs-on: ${{ matrix.os }}
-
-    strategy:
-      matrix:
-        os: [ubuntu-latest]
-        python-version: [3.8]
-        torch-version: [1.12.0]
+    runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v3
-        with:
-          python-version: ${{ matrix.python-version }}
-
-      - name: Install PyTorch ${{ matrix.torch-version }}+cpu
-        run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+      - name: Checkout repository
+        uses: actions/checkout@v3
 
-      - name: Install internal dependencies
-        run: |
-          pip install pyg-lib -f https://data.pyg.org/whl/nightly/torch-${{ matrix.torch-version }}+cpu.html
-          pip install torch-scatter torch-sparse -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
-          pip install git+https://github.com/pyg-team/pyg_sphinx_theme.git
+      - name: Setup packages
+        uses: ./.github/actions/setup
+        with:
+          python-version: 3.8
 
       - name: Install main package
         run: |
+          pip install git+https://github.com/pyg-team/pyg_sphinx_theme.git
           pip install -e .
 
       - name: Build documentation

diff --git a/.github/workflows/examples.yml b/.github/workflows/examples.yml
@@ -9,34 +9,14 @@ jobs:
 
   pytest:
     if: github.repository == 'pyg-team/pytorch_geometric'
-    runs-on: ${{ matrix.os }}
-
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ubuntu-latest]
-        python-version: [3.9]
-        torch-version: [1.12.0]
-        include:
-          - torch-version: 1.12.0
-            torchvision-version: 0.13.0
+    runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v3
-        with:
-          python-version: ${{ matrix.python-version }}
-
-      - name: Install PyTorch ${{ matrix.torch-version }}+cpu
-        run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu torchvision==${{ matrix.torchvision-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+      - name: Checkout repository
+        uses: actions/checkout@v3
 
-      - name: Install internal dependencies
-        run: |
-          pip install pyg-lib -f https://data.pyg.org/whl/nightly/torch-${{ matrix.torch-version }}+cpu.html
-          pip install torch-scatter torch-sparse -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
+      - name: Setup packages
+        uses: ./.github/actions/setup
 
       - name: Install main package
         run: |
@@ -62,5 +42,4 @@ jobs:
 
       - name: Run GNNExplainer
         run: |
-          pip install networkx matplotlib
           python examples/gnn_explainer.py
diff --git a/.github/workflows/full_testing.yml b/.github/workflows/full_testing.yml
@@ -16,32 +16,16 @@ jobs:
       matrix:
         os: [ubuntu-latest, windows-latest]
         python-version: ['3.7', '3.8', '3.9', '3.10']
-        torch-version: [1.12.0]
-        include:
-          - torch-version: 1.12.0
-            torchvision-version: 0.13.0
-        exclude:
-          - os: windows-latest  # Complains about CUDA mismatch.
-            python-version: '3.7'
-          - os: windows-latest  # Complains about missing numpy package.
-            python-version: '3.10'
 
     steps:
-      - uses: actions/checkout@v3
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v3
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
+      - name: Setup packages
+        uses: ./.github/actions/setup
         with:
           python-version: ${{ matrix.python-version }}
 
-      - name: Install PyTorch ${{ matrix.torch-version }}+cpu
-        run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu torchvision==${{ matrix.torchvision-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
-
-      - name: Install internal dependencies
-        run: |
-          pip install torch-scatter torch-sparse torch-cluster torch-spline-conv -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
-
       - name: Install main package
         run: |
           pip install -e .[full,test]

diff --git a/.github/workflows/install.yml b/.github/workflows/install.yml
@@ -9,30 +9,14 @@ on:  # yamllint disable-line rule:truthy
 jobs:
 
   import:
-    runs-on: ${{ matrix.os }}
-
-    strategy:
-      matrix:
-        os: [ubuntu-latest]
-        python-version: [3.9]
-        torch-version: [1.12.0]
+    runs-on: ubuntu-latest
 
     steps:
-      - uses: actions/checkout@v3
-      - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v3
-        with:
-          python-version: ${{ matrix.python-version }}
-
-      - name: Install PyTorch ${{ matrix.torch-version }}+cpu
-        run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+      - name: Checkout repository
+        uses: actions/checkout@v3
 
-      - name: Install internal dependencies
-        run: |
-          pip install pyg-lib -f https://data.pyg.org/whl/nightly/torch-${{ matrix.torch-version }}+cpu.html
-          pip install torch-scatter torch-sparse -f https://data.pyg.org/whl/torch-${{ matrix.torch-version }}+cpu.html
+      - name: Setup packages
+        uses: ./.github/actions/setup
 
       - name: Install main package
         run: |