Pytorch 11.3 support (#5975)

rusty1s · web-flow · commit b09990e88175 · 2022-11-14T20:39:54.000+01:00
diff --git a/.github/workflows/building_pyg_conda.yml b/.github/workflows/building_pyg_conda.yml
@@ -10,23 +10,26 @@ 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.
diff --git a/.github/workflows/building_rusty1s_conda.yml b/.github/workflows/building_rusty1s_conda.yml
@@ -10,23 +10,26 @@ 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.
diff --git a/.github/workflows/documentation.yml b/.github/workflows/documentation.yml
@@ -15,7 +15,7 @@ jobs:
       matrix:
         os: [ubuntu-latest]
         python-version: [3.8]
-        torch-version: [1.12.0]
+        torch-version: [1.13.0]
 
     steps:
       - uses: actions/checkout@v3
@@ -26,8 +26,7 @@ jobs:
 
       - 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
+          pip install torch==${{ matrix.torch-version }} --extra-index-url https://download.pytorch.org/whl/cpu
 
       - name: Install internal dependencies
         run: |
diff --git a/.github/workflows/examples.yml b/.github/workflows/examples.yml
@@ -16,10 +16,7 @@ jobs:
       matrix:
         os: [ubuntu-latest]
         python-version: [3.9]
-        torch-version: [1.12.0]
-        include:
-          - torch-version: 1.12.0
-            torchvision-version: 0.13.0
+        torch-version: [1.13.0]
 
     steps:
       - uses: actions/checkout@v3
@@ -30,8 +27,7 @@ jobs:
 
       - name: Install PyTorch ${{ matrix.torch-version }}+cpu
         run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu torchvision==${{ matrix.torchvision-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+          pip install torch==${{ matrix.torch-version }} --extra-index-url https://download.pytorch.org/whl/cpu
 
       - name: Install internal dependencies
         run: |
diff --git a/.github/workflows/full_testing.yml b/.github/workflows/full_testing.yml
@@ -16,15 +16,13 @@ jobs:
       matrix:
         os: [ubuntu-latest, windows-latest]
         python-version: ['3.7', '3.8', '3.9', '3.10']
-        torch-version: [1.12.0]
+        torch-version: [1.13.0]
         include:
-          - torch-version: 1.12.0
-            torchvision-version: 0.13.0
+          - torch-version: 1.13.0
+            torchvision-version: 0.14.0
         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
@@ -35,8 +33,7 @@ jobs:
 
       - name: Install PyTorch ${{ matrix.torch-version }}+cpu
         run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu torchvision==${{ matrix.torchvision-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+          pip install torch==${{ matrix.torch-version }} torchvision==${{ matrix.torchvision-version}} --extra-index-url https://download.pytorch.org/whl/cpu
 
       - name: Install internal dependencies
         run: |
diff --git a/.github/workflows/install.yml b/.github/workflows/install.yml
@@ -15,7 +15,7 @@ jobs:
       matrix:
         os: [ubuntu-latest]
         python-version: [3.9]
-        torch-version: [1.12.0]
+        torch-version: [1.13.0]
 
     steps:
       - uses: actions/checkout@v3
@@ -26,8 +26,7 @@ jobs:
 
       - 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
+          pip install torch==${{ matrix.torch-version }} --extra-index-url https://download.pytorch.org/whl/cpu
 
       - name: Install internal dependencies
         run: |
diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml
@@ -16,10 +16,10 @@ jobs:
       matrix:
         os: [ubuntu-latest]
         python-version: [3.9]
-        torch-version: [1.12.0]
+        torch-version: [1.13.0]
         include:
-          - torch-version: 1.12.0
-            torchvision-version: 0.13.0
+          - torch-version: 1.13.0
+            torchvision-version: 0.14.0
 
     steps:
       - uses: actions/checkout@v3
@@ -30,8 +30,7 @@ jobs:
 
       - name: Install PyTorch ${{ matrix.torch-version }}+cpu
         run: |
-          pip install numpy typing-extensions dataclasses
-          pip install torch==${{ matrix.torch-version}}+cpu torchvision==${{ matrix.torchvision-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+          pip install torch==${{ matrix.torch-version }} torchvision==${{ matrix.torchvision-version}} --extra-index-url https://download.pytorch.org/whl/cpu
 
       - name: Install internal dependencies
         run: |
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -5,6 +5,7 @@ The format is based on [Keep a Changelog](http://keepachangelog.com/en/1.0.0/).
 
 ## [2.2.0] - 2022-MM-DD
 ### Added
+- Added PyTorch 1.13 support ([#5975](https://github.com/pyg-team/pytorch_geometric/pull/5975))
 - Added `int32` support in `NeighborLoader` ([#5948](https://github.com/pyg-team/pytorch_geometric/pull/5948))
 - Add `dgNN` support and `FusedGATConv` implementation ([#5140](https://github.com/pyg-team/pytorch_geometric/pull/5140))
 - Added `lr_scheduler_solver` and customized `lr_scheduler` classes ([#5942](https://github.com/pyg-team/pytorch_geometric/pull/5942))
diff --git a/README.md b/README.md
@@ -369,44 +369,44 @@ conda install pyg -c pyg
 
 We alternatively provide pip wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
 
-#### PyTorch 1.12
+#### PyTorch 1.13
 
-To install the binaries for PyTorch 1.12.0, simply run
+To install the binaries for PyTorch 1.13.0, simply run
 
 ```
-pip install torch-scatter -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
-pip install torch-sparse -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
+pip install torch-scatter -f https://data.pyg.org/whl/torch-1.13.0+${CUDA}.html
+pip install torch-sparse -f https://data.pyg.org/whl/torch-1.13.0+${CUDA}.html
 pip install torch-geometric
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu116` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu116`, or `cu117` depending on your PyTorch installation.
 
-|             | `cpu` | `cu102` | `cu113` | `cu116` |
-|-------------|-------|---------|---------|---------|
-| **Linux**   | ✅    | ✅      | ✅      | ✅      |
-| **Windows** | ✅    |         | ✅      | ✅      |
-| **macOS**   | ✅    |         |         |         |
+|             | `cpu` | `cu116` | `cu117` |
+|-------------|-------|---------|---------|
+| **Linux**   | ✅    | ✅      | ✅      |
+| **Windows** | ✅    | ✅      | ✅      |
+| **macOS**   | ✅    |         |         |
 
 For additional but optional functionality, run
 
 ```
-pip install torch-cluster -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
-pip install torch-spline-conv -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
+pip install torch-cluster -f https://data.pyg.org/whl/torch-1.13.0+${CUDA}.html
+pip install torch-spline-conv -f https://data.pyg.org/whl/torch-1.13.0+${CUDA}.html
 ```
 
-#### PyTorch 1.11
+#### PyTorch 1.12
 
-To install the binaries for PyTorch 1.11.0, simply run
+To install the binaries for PyTorch 1.12.0, simply run
 
 ```
-pip install torch-scatter -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
-pip install torch-sparse -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
+pip install torch-scatter -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
+pip install torch-sparse -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
 pip install torch-geometric
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu115` depending on your PyTorch installation (`torch.version.cuda`).
+where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu116` depending on your PyTorch installation.
 
-|             | `cpu` | `cu102` | `cu113` | `cu115` |
+|             | `cpu` | `cu102` | `cu113` | `cu116` |
 |-------------|-------|---------|---------|---------|
 | **Linux**   | ✅    | ✅      | ✅      | ✅      |
 | **Windows** | ✅    |         | ✅      | ✅      |
@@ -415,12 +415,12 @@ where `${CUDA}` should be replaced by either `cpu`, `cu102`, `cu113`, or `cu115`
 For additional but optional functionality, run
 
 ```
-pip install torch-cluster -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
-pip install torch-spline-conv -f https://data.pyg.org/whl/torch-1.11.0+${CUDA}.html
+pip install torch-cluster -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
+pip install torch-spline-conv -f https://data.pyg.org/whl/torch-1.12.0+${CUDA}.html
 ```
 
-**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, and PyTorch 1.10.0/1.10.1/1.10.2 (following the same procedure).
-For older versions, you might need to explicitly specify the latest supported version number in order to prevent a manual installation from source.
+**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2, and PyTorch 1.11.0 (following the same procedure).
+For older versions, you might need to explicitly specify the latest supported version number or install via `pip install --no-index` in order to prevent a manual installation from source.
 You can look up the latest supported version number [here](https://data.pyg.org/whl).
 
 ### Nightly and Master
diff --git a/conda/pyg/README.md b/conda/pyg/README.md
@@ -1,3 +1,3 @@
 ```
-./build_conda.sh 3.9 1.12.0 cu113  # python, pytorch and cuda version
+./build_conda.sh 3.9 1.13.0 cu116  # python, pytorch and cuda version
 ```
diff --git a/conda/pyg/build_conda.sh b/conda/pyg/build_conda.sh
@@ -10,8 +10,15 @@ if [ "${CUDA_VERSION}" = "cpu" ]; then
   export CONDA_CUDATOOLKIT_CONSTRAINT="cpuonly  # [not osx]"
 else
   case $CUDA_VERSION in
+    cu117)
+      export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==11.7.*"
+      ;;
     cu116)
-      export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.6.*"
+      if [ "${TORCH_VERSION}" = "1.12.0" ]; then
+        export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.6.*"
+      else
+        export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==11.6.*"
+      fi
       ;;
     cu115)
       export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.5.*"
@@ -39,7 +46,7 @@ echo "PyTorch $TORCH_VERSION+$CUDA_VERSION"
 echo "- $CONDA_PYTORCH_CONSTRAINT"
 echo "- $CONDA_CUDATOOLKIT_CONSTRAINT"
 
-if [ "${CUDA_VERSION}" = "cu116" ]; then
+if [ "${TORCH_VERSION}" = "1.12.0" ] && [ "${CUDA_VERSION}" = "cu116" ]; then
   conda build . -c pytorch -c pyg -c default -c nvidia -c conda-forge --output-folder "$HOME/conda-bld"
 else
   conda build . -c pytorch -c pyg -c default -c nvidia --output-folder "$HOME/conda-bld"
diff --git a/conda/pytorch-geometric/README.md b/conda/pytorch-geometric/README.md
@@ -1,3 +1,3 @@
 ```
-./build_conda.sh 3.9 1.12.0 cu113  # python, pytorch and cuda version
+./build_conda.sh 3.9 1.13.0 cu116  # python, pytorch and cuda version
 ```
diff --git a/conda/pytorch-geometric/build_conda.sh b/conda/pytorch-geometric/build_conda.sh
@@ -10,8 +10,15 @@ if [ "${CUDA_VERSION}" = "cpu" ]; then
   export CONDA_CUDATOOLKIT_CONSTRAINT="cpuonly  # [not osx]"
 else
   case $CUDA_VERSION in
+    cu117)
+      export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==11.7.*"
+      ;;
     cu116)
-      export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.6.*"
+      if [ "${TORCH_VERSION}" = "1.12.0" ]; then
+        export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.6.*"
+      else
+        export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==11.6.*"
+      fi
       ;;
     cu115)
       export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.5.*"
@@ -39,7 +46,7 @@ echo "PyTorch $TORCH_VERSION+$CUDA_VERSION"
 echo "- $CONDA_PYTORCH_CONSTRAINT"
 echo "- $CONDA_CUDATOOLKIT_CONSTRAINT"
 
-if [ "${CUDA_VERSION}" = "cu116" ]; then
+if [ "${TORCH_VERSION}" = "1.12.0" ] && [ "${CUDA_VERSION}" = "cu116" ]; then
   conda build . -c pytorch -c rusty1s -c default -c nvidia -c conda-forge --output-folder "$HOME/conda-bld"
 else
   conda build . -c pytorch -c rusty1s -c default -c nvidia --output-folder "$HOME/conda-bld"
diff --git a/docs/source/notes/installation.rst b/docs/source/notes/installation.rst
@@ -30,19 +30,19 @@ We have outsourced a lot of functionality of PyG to other packages, which needs
 These packages come with their own CPU and GPU kernel implementations based on the `PyTorch C++/CUDA extension interface <https://github.com/pytorch/extension-cpp/>`_.
 We provide pip wheels for these packages for all major OS/PyTorch/CUDA combinations, see `here <https://data.pyg.org/whl>`__:
 
-#. Ensure that at least PyTorch 1.11.0 is installed:
+#. Ensure that at least PyTorch 1.12.0 is installed:
 
     .. code-block:: none
 
         python -c "import torch; print(torch.__version__)"
-        >>> 1.12.0
+        >>> 1.13.0
 
 #. Find the CUDA version PyTorch was installed with:
 
     .. code-block:: none
 
         python -c "import torch; print(torch.version.cuda)"
-        >>> 11.3
+        >>> 11.6
 
 #. Install the relevant packages:
 
@@ -52,21 +52,21 @@ We provide pip wheels for these packages for all major OS/PyTorch/CUDA combinati
          pip install torch-sparse -f https://data.pyg.org/whl/torch-${TORCH}+${CUDA}.html
          pip install torch-geometric
 
-    where :obj:`${CUDA}` and :obj:`${TORCH}` should be replaced by the specific CUDA version (:obj:`cpu`, :obj:`cu102`, :obj:`cu113`, :obj:`cu115`) and PyTorch version (:obj:`1.11.0`, :obj:`1.12.0`), respectively.
-    For example, for PyTorch 1.12.* and CUDA 11.6, type:
+    where :obj:`${CUDA}` and :obj:`${TORCH}` should be replaced by the specific CUDA version (*e.g.*, :obj:`cpu`, :obj:`cu116`, or :obj:`cu117` for PyTorch 1.13, and :obj:`cpu`, :obj:`cu102`, :obj:`cu113`, or :obj:`116` for PyTorch 1.12) and PyTorch version (:obj:`1.11.0`, :obj:`1.12.0`), respectively.
+    For example, for PyTorch 1.13.* and CUDA 11.6, type:
 
     .. code-block:: none
 
-         pip install torch-scatter -f https://data.pyg.org/whl/torch-1.12.0+cu116.html
-         pip install torch-sparse -f https://data.pyg.org/whl/torch-1.12.0+cu116.html
+         pip install torch-scatter -f https://data.pyg.org/whl/torch-1.13.0+cu116.html
+         pip install torch-sparse -f https://data.pyg.org/whl/torch-1.13.0+cu116.html
          pip install torch-geometric
 
-    For PyTorch 1.11.* and CUDA 11.3, type:
+    For PyTorch 1.12.* and CUDA 11.3, type:
 
     .. code-block:: none
 
-         pip install torch-scatter -f https://data.pyg.org/whl/torch-1.11.0+cu113.html
-         pip install torch-sparse -f https://data.pyg.org/whl/torch-1.11.0+cu113.html
+         pip install torch-scatter -f https://data.pyg.org/whl/torch-1.12.0+cu113.html
+         pip install torch-sparse -f https://data.pyg.org/whl/torch-1.12.0+cu113.html
          pip install torch-geometric
 
 #. Install additional packages *(optional)*:
@@ -80,8 +80,8 @@ We provide pip wheels for these packages for all major OS/PyTorch/CUDA combinati
 
     following the same procedure as mentioned above.
 
-**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, and PyTorch 1.10.0/1.10.1/1.10.2 (following the same procedure).
-**For older versions, you need to explicitly specify the latest supported version number** in order to prevent a manual installation from source.
+**Note:** Binaries of older versions are also provided for PyTorch 1.4.0, PyTorch 1.5.0, PyTorch 1.6.0, PyTorch 1.7.0/1.7.1, PyTorch 1.8.0/1.8.1, PyTorch 1.9.0, PyTorch 1.10.0/1.10.1/1.10.2,a nd PyTorch 1.11.0 (following the same procedure).
+**For older versions, you need to explicitly specify the latest supported version number** or install via :obj:`pip install --no-index` in order to prevent a manual installation from source.
 You can look up the latest supported version number `here <https://data.pyg.org/whl>`__.
 
 Installation from Source
diff --git a/docs/source/notes/quick-start.html b/docs/source/notes/quick-start.html
diff --git a/test/nn/dense/test_linear.py b/test/nn/dense/test_linear.py

-Original file line number
+Diff line change
@@ @@ -1,3 +1,3 @@ @@
 ```
 -./build_conda.sh 3.9 1.12.0 cu113  # python, pytorch and cuda version
 +./build_conda.sh 3.9 1.13.0 cu116  # python, pytorch and cuda version
 ```