Add PyTorch 2.1.0 support

.github/workflows/building-conda.yml

@@ -11,20 +11,21 @@ jobs:
       fail-fast: false
       matrix:
         # 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: [1.13.0, 2.0.0]
-        # We have trouble building for `cu116` due to PyTorch 1.13.0 bugs
-        cuda-version: ['cpu', 'cu117', 'cu118']
+        os: [ubuntu-20.04, macos-11]  # windows-2019
+        python-version: ['3.8', '3.9', '3.10', '3.11']
+        torch-version: [2.0.0, 2.1.0]
+        cuda-version: ['cpu', 'cu117', 'cu118', 'cu121']
         exclude:
           - torch-version: 2.0.0
-            python-version: '3.7'
-          - torch-version: 1.13.0
-            cuda-version: 'cu118'
-          - os: macos-10.15
+            cuda-version: 'cu121'
+          - torch-version: 2.1.0
+            cuda-version: 'cu117'
+          - os: macos-11
             cuda-version: 'cu117'
-          - os: macos-10.15
+          - os: macos-11
             cuda-version: 'cu118'
+          - os: macos-11
+            cuda-version: 'cu121'
 
     steps:
       - uses: actions/checkout@v2
@@ -33,10 +34,9 @@ jobs:
         with:
           python-version: ${{ matrix.python-version }}
 
-      - name: Free up disk space
+      - name: Free Disk Space (Ubuntu)
         if: ${{ runner.os == 'Linux' }}
-        run: |
-          sudo rm -rf /usr/share/dotnet
+        uses: jlumbroso/free-disk-space@main
 
       - name: Install Conda packages
         run: |

.github/workflows/building.yml

@@ -10,25 +10,21 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        os: [ubuntu-18.04, macos-10.15, windows-2019]
-        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
-        torch-version: [1.13.0, 2.0.0]
-        cuda-version: ['cpu', 'cu116', 'cu117', 'cu118']
+        os: [ubuntu-20.04, macos-11, windows-2019]
+        python-version: ['3.8', '3.9', '3.10', '3.11']
+        torch-version: [2.0.0, 2.1.0]
+        cuda-version: ['cpu', 'cu117', 'cu118', 'cu121']
         exclude:
-          - torch-version: 1.13.0
-            python-version: '3.11'
           - torch-version: 2.0.0
-            python-version: '3.7'
-          - torch-version: 1.13.0
-            cuda-version: 'cu118'
-          - torch-version: 2.0.0
-            cuda-version: 'cu116'
-          - os: macos-10.15
-            cuda-version: 'cu116'
-          - os: macos-10.15
+            cuda-version: 'cu121'
+          - torch-version: 2.1.0
             cuda-version: 'cu117'
-          - os: macos-10.15
+          - os: macos-11
+            cuda-version: 'cu117'
+          - os: macos-11
             cuda-version: 'cu118'
+          - os: macos-11
+            cuda-version: 'cu121'
 
     steps:
       - uses: actions/checkout@v2
@@ -40,12 +36,12 @@ jobs:
       - name: Upgrade pip
         run: |
           pip install --upgrade setuptools
+          pip install scipy==1.10.1  # Python 3.8 support
           pip list
 
-      - name: Free up disk space
+      - name: Free Disk Space (Ubuntu)
         if: ${{ runner.os == 'Linux' }}
-        run: |
-          sudo rm -rf /usr/share/dotnet
+        uses: jlumbroso/free-disk-space@main
 
       - name: Install CUDA ${{ matrix.cuda-version }}
         if: ${{ matrix.cuda-version != 'cpu' }}
@@ -73,15 +69,15 @@ jobs:
       - 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
 

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

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-OS=ubuntu1804
+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

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

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-OS=ubuntu1804
+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

.github/workflows/cuda/cu121-Linux-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/usr/local/cuda-12.1
+LD_LIBRARY_PATH=${CUDA_HOME}/lib64:${LD_LIBRARY_PATH}
+PATH=${CUDA_HOME}/bin:${PATH}
+
+export FORCE_CUDA=1
+export TORCH_CUDA_ARCH_LIST="5.0+PTX;6.0;7.0;7.5;8.0;8.6;9.0"

.github/workflows/cuda/cu121-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-${OS}.pin /etc/apt/preferences.d/cuda-repository-pin-600
+wget -nv https://developer.download.nvidia.com/compute/cuda/12.1.1/local_installers/cuda-repo-${OS}-12-1-local_12.1.1-530.30.02-1_amd64.deb
+sudo dpkg -i cuda-repo-${OS}-12-1-local_12.1.1-530.30.02-1_amd64.deb
+sudo cp /var/cuda-repo-${OS}-12-1-local/cuda-*-keyring.gpg /usr/share/keyrings/
+
+sudo apt-get -qq update
+sudo apt install cuda-nvcc-12-1 cuda-libraries-dev-12-1
+sudo apt clean
+
+rm -f https://developer.download.nvidia.com/compute/cuda/12.1.0/local_installers/cuda-repo-${OS}-12-1-local_12.1.1-530.30.02-1_amd64.deb

.github/workflows/cuda/cu121-Windows-env.sh

@@ -0,0 +1,8 @@
+#!/bin/bash
+
+CUDA_HOME=/c/Program\ Files/NVIDIA\ GPU\ Computing\ Toolkit/CUDA/v12.1
+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/cu121-Windows.sh

@@ -0,0 +1,18 @@
+#!/bin/bash
+
+# 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=12.1
+export CUDA_URL=https://developer.download.nvidia.com/compute/cuda/${CUDA_SHORT}.1/local_installers
+export CUDA_FILE=cuda_${CUDA_SHORT}.1_531.14_windows.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/testing.yml

@@ -16,7 +16,7 @@ jobs:
       matrix:
         os: [ubuntu-latest, windows-latest]
         python-version: [3.8]
-        torch-version: [1.13.0, 2.0.0]
+        torch-version: [2.0.0, 2.1.0]
 
     steps:
       - uses: actions/checkout@v2

CMakeLists.txt

@@ -1,7 +1,7 @@
 cmake_minimum_required(VERSION 3.0)
 project(torchcluster)
 set(CMAKE_CXX_STANDARD 14)
-set(TORCHCLUSTER_VERSION 1.6.1)
+set(TORCHCLUSTER_VERSION 1.6.2)
 
 option(WITH_CUDA "Enable CUDA support" OFF)
 option(WITH_PYTHON "Link to Python when building" ON)

README.md

@@ -43,39 +43,39 @@ conda install pytorch-cluster -c pyg
 
 We alternatively provide pip wheels for all major OS/PyTorch/CUDA combinations, see [here](https://data.pyg.org/whl).
 
-#### PyTorch 2.0
+#### PyTorch 2.1
 
-To install the binaries for PyTorch 2.0.0, simply run
+To install the binaries for PyTorch 2.1.0, simply run
 
 ```
-pip install torch-cluster -f https://data.pyg.org/whl/torch-2.0.0+${CUDA}.html
+pip install torch-cluster -f https://data.pyg.org/whl/torch-2.1.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu117`, or `cu118` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu118`, or `cu121` depending on your PyTorch installation.
 
-|             | `cpu` | `cu117` | `cu118` |
+|             | `cpu` | `cu118` | `cu121` |
 |-------------|-------|---------|---------|
 | **Linux**   | ✅    | ✅      | ✅      |
 | **Windows** | ✅    | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |
 
-#### PyTorch 1.13
+#### PyTorch 2.0
 
-To install the binaries for PyTorch 1.13.0, simply run
+To install the binaries for PyTorch 2.0.0, simply run
 
 ```
-pip install torch-cluster -f https://data.pyg.org/whl/torch-1.13.0+${CUDA}.html
+pip install torch-cluster -f https://data.pyg.org/whl/torch-2.0.0+${CUDA}.html
 ```
 
-where `${CUDA}` should be replaced by either `cpu`, `cu116`, or `cu117` depending on your PyTorch installation.
+where `${CUDA}` should be replaced by either `cpu`, `cu117`, or `cu118` depending on your PyTorch installation.
 
-|             | `cpu` | `cu116` | `cu117` |
+|             | `cpu` | `cu117` | `cu118` |
 |-------------|-------|---------|---------|
 | **Linux**   | ✅    | ✅      | ✅      |
 | **Windows** | ✅    | ✅      | ✅      |
 | **macOS**   | ✅    |         |         |
 
-**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, PyTorch 1.11.0 and PyTorch 1.12.0/1.12.1 (following the same procedure).
+**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, PyTorch 1.11.0, PyTorch 1.12.0/1.12.1 and PyTorch 1.13.0/1.13.1 (following the same procedure).
 For older versions, you 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).
 

conda/pytorch-cluster/README.md

@@ -1,3 +1,3 @@
 ```
-./build_conda.sh 3.9 2.0.0 cu117  # python, pytorch and cuda version
+./build_conda.sh 3.9 2.1.0 cu118  # python, pytorch and cuda version
 ```

conda/pytorch-cluster/build_conda.sh

@@ -10,6 +10,9 @@ if [ "${CUDA_VERSION}" = "cpu" ]; then
   export CONDA_CUDATOOLKIT_CONSTRAINT="cpuonly  # [not osx]"
 else
   case $CUDA_VERSION in
+    cu121)
+      export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==12.1.*"
+      ;;
     cu118)
       export CONDA_CUDATOOLKIT_CONSTRAINT="pytorch-cuda==11.8.*"
       ;;

conda/pytorch-cluster/meta.yaml

@@ -1,6 +1,6 @@
 package:
   name: pytorch-cluster
-  version: 1.6.1
+  version: 1.6.2
 
 source:
   path: ../..

setup.cfg

@@ -6,10 +6,10 @@ classifiers =
     Development Status :: 5 - Production/Stable
     License :: OSI Approved :: MIT License
     Programming Language :: Python
-    Programming Language :: Python :: 3.7
     Programming Language :: Python :: 3.8
     Programming Language :: Python :: 3.9
     Programming Language :: Python :: 3.10
+    Programming Language :: Python :: 3.11
     Programming Language :: Python :: 3 :: Only
 
 [aliases]

setup.py

@@ -11,7 +11,7 @@
 from torch.utils.cpp_extension import (CUDA_HOME, BuildExtension, CppExtension,
                                        CUDAExtension)
 
-__version__ = '1.6.1'
+__version__ = '1.6.2'
 URL = 'https://github.com/rusty1s/pytorch_cluster'
 
 WITH_CUDA = False
@@ -135,7 +135,7 @@ def get_extensions():
         'graph-neural-networks',
         'cluster-algorithms',
     ],
-    python_requires='>=3.7',
+    python_requires='>=3.8',
     install_requires=install_requires,
     extras_require={
         'test': test_requires,

torch_cluster/__init__.py

@@ -3,7 +3,7 @@
 
 import torch
 
-__version__ = '1.6.1'
+__version__ = '1.6.2'
 
 for library in [
         '_version', '_grid', '_graclus', '_fps', '_rw', '_sampler', '_nearest',