[pull] master from rusty1s:master

.github/workflows/building.yml

@@ -10,21 +10,25 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-18.04, macos-10.15, windows-latest]
-        python-version: [3.6, 3.7, 3.8, 3.9]
-        torch-version: [1.9.0, 1.10.0]
-        cuda-version: ['cpu', 'cu102', 'cu111', 'cu113']
+        os: [ubuntu-20.04, macos-14, windows-2019, ubuntu-22.04-arm]
+        python-version: ['3.9', '3.10', '3.11', '3.12', '3.13']
+        torch-version: [2.6.0]  # [2.5.0]
+        cuda-version: ['cpu', 'cu118', 'cu121', 'cu124', 'cu126']
         exclude:
-          - torch-version: 1.9.0
-            cuda-version: 'cu113'
-          - torch-version: 1.10.0
-            cuda-version: 'cu111'
-          - os: macos-10.15
-            cuda-version: 'cu102'
-          - os: macos-10.15
-            cuda-version: 'cu111'
-          - os: macos-10.15
-            cuda-version: 'cu113'
+          - torch-version: 2.5.0
+            python-version: '3.13'
+          - torch-version: 2.5.0
+            cuda-version: 'cu126'
+          - torch-version: 2.6.0
+            cuda-version: 'cu121'
+          - os: macos-14
+            cuda-version: 'cu118'
+          - os: macos-14
+            cuda-version: 'cu121'
+          - os: macos-14
+            cuda-version: 'cu124'
+          - os: macos-14
+            cuda-version: 'cu126'
 
     steps:
       - uses: actions/checkout@v2
@@ -33,10 +37,13 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
 
-      - name: Free up disk space
-        if: ${{ runner.os == 'Linux' }}
+      - name: Upgrade pip
         run: |
-          sudo rm -rf /usr/share/dotnet
+          pip install --upgrade setuptools
+
+      - name: Free Disk Space (Ubuntu)
+        if: ${{ runner.os == 'Linux' }}
+        uses: jlumbroso/free-disk-space@main
 
       - name: Install CUDA ${{ matrix.cuda-version }}
         if: ${{ matrix.cuda-version != 'cpu' }}
@@ -45,26 +52,49 @@ jobs:
 
       - name: Install PyTorch ${{ matrix.torch-version }}+${{ matrix.cuda-version }}
         run: |
-          pip install numpy typing-extensions dataclasses
-          pip install --no-index --no-cache-dir torch==${{ matrix.torch-version}} -f https://download.pytorch.org/whl/${{ matrix.cuda-version }}/torch_stable.html
+          pip install torch==${{ matrix.torch-version }} --extra-index-url https://download.pytorch.org/whl/${{ matrix.cuda-version }}
           python -c "import torch; print('PyTorch:', torch.__version__)"
           python -c "import torch; print('CUDA:', torch.version.cuda)"
 
+      - name: Patch PyTorch static constexpr on Windows
+        if: ${{ runner.os == 'Windows' }}
+        run: |
+          Torch_DIR=`python -c 'import os; import torch; print(os.path.dirname(torch.__file__))'`
+          sed -i '31,38c\
+          TORCH_API void lazy_init_num_threads();' ${Torch_DIR}/include/ATen/Parallel.h
+        shell: bash
+
+      - name: Set version
+        if: ${{ runner.os != 'macOS' }}
+        run: |
+          VERSION=`sed -n "s/^__version__ = '\(.*\)'/\1/p" torch_scatter/__init__.py`
+          TORCH_VERSION=`echo "pt${{ matrix.torch-version }}" | sed "s/..$//" | sed "s/\.//g"`
+          CUDA_VERSION=`echo ${{ matrix.cuda-version }}`
+          echo "New version name: $VERSION+$TORCH_VERSION$CUDA_VERSION"
+          sed -i "s/$VERSION/$VERSION+$TORCH_VERSION$CUDA_VERSION/" setup.py
+          sed -i "s/$VERSION/$VERSION+$TORCH_VERSION$CUDA_VERSION/" torch_scatter/__init__.py
+        shell:
+          bash
+
       - name: Install main package for CPU
         if: ${{ matrix.cuda-version == 'cpu' }}
         run: |
-          FORCE_ONLY_CPU=1 pip install -e .
+          FORCE_ONLY_CPU=1 python setup.py develop
         shell:
           bash
 
       - name: Install main package for GPU
         if: ${{ matrix.cuda-version != 'cpu' }}
         run: |
           source .github/workflows/cuda/${{ matrix.cuda-version }}-${{ runner.os }}-env.sh
-          pip install -e .
+          python setup.py develop
         shell:
           bash
 
+      - name: Test installation
+        run: |
+          python -c "import torch_scatter; print('torch-scatter:', torch_scatter.__version__)"
+
       - name: Build wheel
         run: |
           pip install wheel

.github/workflows/cuda/cu115-Linux-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/usr/local/cuda-11.5
+LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
+PATH=${CUDA_HOME}/bin:${PATH}
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="3.5;5.0+PTX;6.0;7.0;7.5;8.0;8.6"

.github/workflows/cuda/cu115-Linux.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+OS=ubuntu1804
+
+wget -nv https://developer.download.nvidia.com/compute/cuda/repos/${OS}/x86_64/cuda-${OS}.pin
+sudo mv cuda-${OS}.pin /etc/apt/preferences.d/cuda-repository-pin-600
+wget -nv https://developer.download.nvidia.com/compute/cuda/11.5.2/local_installers/cuda-repo-${OS}-11-5-local_11.5.2-495.29.05-1_amd64.deb
+sudo dpkg -i cuda-repo-${OS}-11-5-local_11.5.2-495.29.05-1_amd64.deb
+sudo apt-key add /var/cuda-repo-${OS}-11-5-local/7fa2af80.pub
+
+sudo apt-get -qq update
+sudo apt install cuda-nvcc-11-5 cuda-libraries-dev-11-5
+sudo apt clean
+
+rm -f https://developer.download.nvidia.com/compute/cuda/11.5.2/local_installers/cuda-repo-${OS}-11-5-local_11.5.2-495.29.05-1_amd64.deb

.github/workflows/cuda/cu115-Windows-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/c/Program\ Files/NVIDIA\ GPU\ Computing\ Toolkit/CUDA/v11.3
+PATH=${CUDA_HOME}/bin:$PATH
+PATH=/c/Program\ Files\ \(x86\)/Microsoft\ Visual\ Studio/2017/BuildTools/MSBuild/15.0/Bin:$PATH
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="6.0+PTX"

.github/workflows/cuda/cu115-Windows.sh

@@ -0,0 +1,20 @@
+#!/bin/bash
+
+# TODO We currently use CUDA 11.3 to build CUDA 11.5 Windows wheels
+
+# Install NVIDIA drivers, see:
+# https://github.com/pytorch/vision/blob/master/packaging/windows/internal/cuda_install.bat#L99-L102
+curl -k -L "https://drive.google.com/u/0/uc?id=1injUyo3lnarMgWyRcXqKg4UGnN0ysmuq&export=download" --output "/tmp/gpu_driver_dlls.zip"
+7z x "/tmp/gpu_driver_dlls.zip" -o"/c/Windows/System32"
+
+export CUDA_SHORT=11.3
+export CUDA_URL=https://developer.download.nvidia.com/compute/cuda/${CUDA_SHORT}.0/local_installers
+export CUDA_FILE=cuda_${CUDA_SHORT}.0_465.89_win10.exe
+
+# Install CUDA:
+curl -k -L "${CUDA_URL}/${CUDA_FILE}" --output "${CUDA_FILE}"
+echo ""
+echo "Installing from ${CUDA_FILE}..."
+PowerShell -Command "Start-Process -FilePath \"${CUDA_FILE}\" -ArgumentList \"-s nvcc_${CUDA_SHORT} cuobjdump_${CUDA_SHORT} nvprune_${CUDA_SHORT} cupti_${CUDA_SHORT} cublas_dev_${CUDA_SHORT} cudart_${CUDA_SHORT} cufft_dev_${CUDA_SHORT} curand_dev_${CUDA_SHORT} cusolver_dev_${CUDA_SHORT} cusparse_dev_${CUDA_SHORT} thrust_${CUDA_SHORT} npp_dev_${CUDA_SHORT} nvrtc_dev_${CUDA_SHORT} nvml_dev_${CUDA_SHORT}\" -Wait -NoNewWindow"
+echo "Done!"
+rm -f "${CUDA_FILE}"

.github/workflows/cuda/cu116-Linux-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/usr/local/cuda-11.6
+LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
+PATH=${CUDA_HOME}/bin:${PATH}
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="3.5;5.0+PTX;6.0;7.0;7.5;8.0;8.6"

.github/workflows/cuda/cu116-Linux.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+OS=ubuntu1804
+
+wget -nv https://developer.download.nvidia.com/compute/cuda/repos/${OS}/x86_64/cuda-${OS}.pin
+sudo mv cuda-${OS}.pin /etc/apt/preferences.d/cuda-repository-pin-600
+wget -nv https://developer.download.nvidia.com/compute/cuda/11.6.2/local_installers/cuda-repo-${OS}-11-6-local_11.6.2-510.47.03-1_amd64.deb
+sudo dpkg -i cuda-repo-${OS}-11-6-local_11.6.2-510.47.03-1_amd64.deb
+sudo apt-key add /var/cuda-repo-${OS}-11-6-local/7fa2af80.pub
+
+sudo apt-get -qq update
+sudo apt install cuda-nvcc-11-6 cuda-libraries-dev-11-6
+sudo apt clean
+
+rm -f https://developer.download.nvidia.com/compute/cuda/11.5.2/local_installers/cuda-repo-${OS}-11-6-local_11.6.2-510.47.03-1_amd64.deb

.github/workflows/cuda/cu116-Windows-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/c/Program\ Files/NVIDIA\ GPU\ Computing\ Toolkit/CUDA/v11.3
+PATH=${CUDA_HOME}/bin:$PATH
+PATH=/c/Program\ Files\ \(x86\)/Microsoft\ Visual\ Studio/2017/BuildTools/MSBuild/15.0/Bin:$PATH
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="6.0+PTX"

.github/workflows/cuda/cu116-Windows.sh

@@ -0,0 +1,20 @@
+#!/bin/bash
+
+# TODO We currently use CUDA 11.3 to build CUDA 11.6 Windows wheels
+
+# Install NVIDIA drivers, see:
+# https://github.com/pytorch/vision/blob/master/packaging/windows/internal/cuda_install.bat#L99-L102
+curl -k -L "https://drive.google.com/u/0/uc?id=1injUyo3lnarMgWyRcXqKg4UGnN0ysmuq&export=download" --output "/tmp/gpu_driver_dlls.zip"
+7z x "/tmp/gpu_driver_dlls.zip" -o"/c/Windows/System32"
+
+export CUDA_SHORT=11.3
+export CUDA_URL=https://developer.download.nvidia.com/compute/cuda/${CUDA_SHORT}.0/local_installers
+export CUDA_FILE=cuda_${CUDA_SHORT}.0_465.89_win10.exe
+
+# Install CUDA:
+curl -k -L "${CUDA_URL}/${CUDA_FILE}" --output "${CUDA_FILE}"
+echo ""
+echo "Installing from ${CUDA_FILE}..."
+PowerShell -Command "Start-Process -FilePath \"${CUDA_FILE}\" -ArgumentList \"-s nvcc_${CUDA_SHORT} cuobjdump_${CUDA_SHORT} nvprune_${CUDA_SHORT} cupti_${CUDA_SHORT} cublas_dev_${CUDA_SHORT} cudart_${CUDA_SHORT} cufft_dev_${CUDA_SHORT} curand_dev_${CUDA_SHORT} cusolver_dev_${CUDA_SHORT} cusparse_dev_${CUDA_SHORT} thrust_${CUDA_SHORT} npp_dev_${CUDA_SHORT} nvrtc_dev_${CUDA_SHORT} nvml_dev_${CUDA_SHORT}\" -Wait -NoNewWindow"
+echo "Done!"
+rm -f "${CUDA_FILE}"

.github/workflows/cuda/cu117-Linux-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/usr/local/cuda-11.7
+LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
+PATH=${CUDA_HOME}/bin:${PATH}
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="3.5;5.0+PTX;6.0;7.0;7.5;8.0;8.6"

.github/workflows/cuda/cu117-Linux.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+OS=ubuntu2004
+
+wget -nv https://developer.download.nvidia.com/compute/cuda/repos/${OS}/x86_64/cuda-${OS}.pin
+sudo mv cuda-${OS}.pin /etc/apt/preferences.d/cuda-repository-pin-600
+wget -nv https://developer.download.nvidia.com/compute/cuda/11.7.1/local_installers/cuda-repo-${OS}-11-7-local_11.7.1-515.65.01-1_amd64.deb
+sudo dpkg -i cuda-repo-${OS}-11-7-local_11.7.1-515.65.01-1_amd64.deb
+sudo cp /var/cuda-repo-${OS}-11-7-local/cuda-*-keyring.gpg /usr/share/keyrings/
+
+sudo apt-get -qq update
+sudo apt install cuda-nvcc-11-7 cuda-libraries-dev-11-7
+sudo apt clean
+
+rm -f https://developer.download.nvidia.com/compute/cuda/11.7.1/local_installers/cuda-repo-${OS}-11-7-local_11.7.1-515.65.01-1_amd64.deb

.github/workflows/cuda/cu117-Windows-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/c/Program\ Files/NVIDIA\ GPU\ Computing\ Toolkit/CUDA/v11.3
+PATH=${CUDA_HOME}/bin:$PATH
+PATH=/c/Program\ Files\ \(x86\)/Microsoft\ Visual\ Studio/2017/BuildTools/MSBuild/15.0/Bin:$PATH
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="6.0+PTX"

.github/workflows/cuda/cu117-Windows.sh

@@ -0,0 +1,20 @@
+#!/bin/bash
+
+# TODO We currently use CUDA 11.3 to build CUDA 11.7 Windows wheels
+
+# Install NVIDIA drivers, see:
+# https://github.com/pytorch/vision/blob/master/packaging/windows/internal/cuda_install.bat#L99-L102
+curl -k -L "https://drive.google.com/u/0/uc?id=1injUyo3lnarMgWyRcXqKg4UGnN0ysmuq&export=download" --output "/tmp/gpu_driver_dlls.zip"
+7z x "/tmp/gpu_driver_dlls.zip" -o"/c/Windows/System32"
+
+export CUDA_SHORT=11.3
+export CUDA_URL=https://developer.download.nvidia.com/compute/cuda/${CUDA_SHORT}.0/local_installers
+export CUDA_FILE=cuda_${CUDA_SHORT}.0_465.89_win10.exe
+
+# Install CUDA:
+curl -k -L "${CUDA_URL}/${CUDA_FILE}" --output "${CUDA_FILE}"
+echo ""
+echo "Installing from ${CUDA_FILE}..."
+PowerShell -Command "Start-Process -FilePath \"${CUDA_FILE}\" -ArgumentList \"-s nvcc_${CUDA_SHORT} cuobjdump_${CUDA_SHORT} nvprune_${CUDA_SHORT} cupti_${CUDA_SHORT} cublas_dev_${CUDA_SHORT} cudart_${CUDA_SHORT} cufft_dev_${CUDA_SHORT} curand_dev_${CUDA_SHORT} cusolver_dev_${CUDA_SHORT} cusparse_dev_${CUDA_SHORT} thrust_${CUDA_SHORT} npp_dev_${CUDA_SHORT} nvrtc_dev_${CUDA_SHORT} nvml_dev_${CUDA_SHORT}\" -Wait -NoNewWindow"
+echo "Done!"
+rm -f "${CUDA_FILE}"

.github/workflows/cuda/cu118-Linux-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/usr/local/cuda-11.8
+LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
+PATH=${CUDA_HOME}/bin:${PATH}
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="3.5;5.0+PTX;6.0;7.0;7.5;8.0;8.6"

.github/workflows/cuda/cu118-Linux.sh

@@ -0,0 +1,15 @@
+#!/bin/bash
+
+OS=ubuntu2004
+
+wget -nv https://developer.download.nvidia.com/compute/cuda/repos/${OS}/x86_64/cuda-${OS}.pin
+sudo mv cuda-${OS}.pin /etc/apt/preferences.d/cuda-repository-pin-600
+wget -nv https://developer.download.nvidia.com/compute/cuda/11.8.0/local_installers/cuda-repo-${OS}-11-8-local_11.8.0-520.61.05-1_amd64.deb
+sudo dpkg -i cuda-repo-${OS}-11-8-local_11.8.0-520.61.05-1_amd64.deb
+sudo cp /var/cuda-repo-${OS}-11-8-local/cuda-*-keyring.gpg /usr/share/keyrings/
+
+sudo apt-get -qq update
+sudo apt install cuda-nvcc-11-8 cuda-libraries-dev-11-8
+sudo apt clean
+
+rm -f https://developer.download.nvidia.com/compute/cuda/11.8.0/local_installers/cuda-repo-${OS}-11-8-local_11.8.0-520.61.05-1_amd64.deb

.github/workflows/cuda/cu118-Windows-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/c/Program\ Files/NVIDIA\ GPU\ Computing\ Toolkit/CUDA/v11.8
+PATH=${CUDA_HOME}/bin:$PATH
+PATH=/c/Program\ Files\ \(x86\)/Microsoft\ Visual\ Studio/2017/BuildTools/MSBuild/15.0/Bin:$PATH
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="6.0+PTX"