PyTorch 1.11 support

.github/workflows/building-conda.yml

@@ -10,21 +10,27 @@ 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: [1.10.0]
-        cuda-version: ['cpu', 'cu102', 'cu111', 'cu113']
+        os: [ubuntu-18.04, macos-10.15, windows-2019]
+        python-version: ['3.7', '3.8', '3.9', '3.10']
+        torch-version: [1.10.0, 1.11.0]
+        cuda-version: ['cpu', 'cu102', 'cu113', 'cu115']
         exclude:
-          - torch-version: 1.9.0
-            cuda-version: 'cu113'
           - torch-version: 1.10.0
-            cuda-version: 'cu111'
-          - os: macos-10.15
+            cuda-version: 'cu115'
+          - torch-version: 1.10.0
+            python-version: '3.10'
+          - os: windows-2019
+            torch-version: 1.11.0
             cuda-version: 'cu102'
           - os: macos-10.15
-            cuda-version: 'cu111'
+            cuda-version: 'cu102'
           - os: macos-10.15
             cuda-version: 'cu113'
+          - os: macos-10.15
+            cuda-version: 'cu115'
+          # There is a weird `glibc=2.27` bug going on for this combination:
+          - os: ubuntu-18.04
+            python-version: '3.10'
 
     steps:
       - uses: actions/checkout@v2

.github/workflows/building.yml

@@ -10,21 +10,24 @@ 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: [1.10.0]
-        cuda-version: ['cpu', 'cu102', 'cu111', 'cu113']
+        os: [ubuntu-18.04, macos-10.15, windows-2019]
+        python-version: ['3.7', '3.8', '3.9', '3.10']
+        torch-version: [1.10.0, 1.11.0]
+        cuda-version: ['cpu', 'cu102', 'cu113', 'cu115']
         exclude:
-          - torch-version: 1.9.0
-            cuda-version: 'cu113'
           - torch-version: 1.10.0
-            cuda-version: 'cu111'
-          - os: macos-10.15
+            cuda-version: 'cu115'
+          - torch-version: 1.10.0
+            python-version: '3.10'
+          - os: windows-2019
+            torch-version: 1.11.0
             cuda-version: 'cu102'
           - os: macos-10.15
-            cuda-version: 'cu111'
+            cuda-version: 'cu102'
           - os: macos-10.15
             cuda-version: 'cu113'
+          - os: macos-10.15
+            cuda-version: 'cu115'
 
     steps:
       - uses: actions/checkout@v2

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

+#!/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

+#!/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

+#!/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

+#!/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/linting.yml

 name: Linting
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - master
+  pull_request:
 
 jobs:
 
   flake8:
-    runs-on: ${{ matrix.os }}
-
-    strategy:
-      matrix:
-        os: [ubuntu-latest]
-        python-version: [3.6]
+    runs-on: ubuntu-latest
 
     steps:
       - uses: actions/checkout@v2
-      - name: Set up Python ${{ matrix.python-version }}
+
+      - name: Set up Python
         uses: actions/setup-python@v2
         with:
-          python-version: ${{ matrix.python-version }}
+          python-version: 3.9
 
       - name: Install dependencies
         run: |
@@ -26,3 +26,30 @@ jobs:
       - name: Run linting
         run: |
           flake8 .
+
+  pyroma:
+    runs-on: ubuntu-latest
+
+    strategy:
+      matrix:
+        torch-version: [1.11.0]
+
+    steps:
+      - uses: actions/checkout@v2
+
+      - name: Set up Python
+        uses: actions/setup-python@v2
+        with:
+          python-version: 3.9
+
+      - name: Install PyTorch ${{ matrix.torch-version }}
+        run: |
+          pip install torch==${{ matrix.torch-version}}+cpu -f https://download.pytorch.org/whl/torch_stable.html
+
+      - name: Install dependencies
+        run: |
+          pip install pyroma
+
+      - name: Check package metadata
+        run: |
+          pyroma --min=10 .

.github/workflows/testing.yml

 name: Testing
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - master
+  pull_request:
 
 jobs:
 
@@ -9,9 +13,10 @@ jobs:
 
     strategy:
       matrix:
+        fail-fast: false
         os: [ubuntu-latest, windows-latest]
-        python-version: [3.6]
-        torch-version: [1.9.0, 1.10.0]
+        python-version: [3.7]
+        torch-version: [1.10.0, 1.11.0]
 
     steps:
       - uses: actions/checkout@v2
@@ -30,16 +35,10 @@ jobs:
 
       - name: Run test-suite
         run: |
-          python setup.py test
+          pytest --cov --cov-report=xml
 
-      - name: Generate coverage report
-        if: success()
-        run: |
-          pip install coverage
-          coverage xml
-
-      - name: Upload coverage report to codecov
+      - name: Upload coverage
         uses: codecov/codecov-action@v1
         if: success()
         with:
-          file: coverage.xml
+          fail_ci_if_error: false

conda/pytorch-spline-conv/README.md

 ```
-./build_conda.sh 3.9 1.9.0 cu111  # python, pytorch and cuda version
+./build_conda.sh 3.9 1.11.0 cu113  # python, pytorch and cuda version
 ```

conda/pytorch-spline-conv/build_conda.sh

@@ -10,6 +10,9 @@ if [ "${CUDA_VERSION}" = "cpu" ]; then
   export CONDA_CUDATOOLKIT_CONSTRAINT="cpuonly  # [not osx]"
 else
   case $CUDA_VERSION in
+    cu115)
+      export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.5.*"
+      ;;
     cu113)
       export CONDA_CUDATOOLKIT_CONSTRAINT="cudatoolkit==11.3.*"
       ;;
@@ -33,4 +36,4 @@ echo "PyTorch $TORCH_VERSION+$CUDA_VERSION"
 echo "- $CONDA_PYTORCH_CONSTRAINT"
 echo "- $CONDA_CUDATOOLKIT_CONSTRAINT"
 
-conda build . -c nvidia -c pytorch -c default -c conda-forge --output-folder "$HOME/conda-bld"
+conda build . -c pytorch -c default --output-folder "$HOME/conda-bld"

setup.cfg

 [metadata]
-description-file = README.md
+long_description=file: README.md
+long_description_content_type=text/markdown
+
+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 :: Only
 
 [aliases]
-test=pytest
+test = pytest
 
 [tool:pytest]
-addopts = --cov
+addopts = --capture=no

setup.py

-import os
 import glob
+import os
 import os.path as osp
-from itertools import product
-from setuptools import setup, find_packages
 import platform
 import sys
+from itertools import product
 
 import torch
-from torch.utils.cpp_extension import BuildExtension
-from torch.utils.cpp_extension import CppExtension, CUDAExtension, CUDA_HOME
+from setuptools import find_packages, setup
+from torch.__config__ import parallel_info
+from torch.utils.cpp_extension import (CUDA_HOME, BuildExtension, CppExtension,
+                                       CUDAExtension)
+
+__version__ = '1.2.1',
+URL = 'https://github.com/rusty1s/pytorch_spline_conv'
 
 WITH_CUDA = torch.cuda.is_available() and CUDA_HOME is not None
 suffices = ['cpu', 'cuda'] if WITH_CUDA else ['cpu']
@@ -35,6 +39,22 @@ def get_extensions():
             extra_compile_args['cxx'] += ['-Wno-sign-compare']
         extra_link_args = ['-s']
 
+        info = parallel_info()
+        if ('backend: OpenMP' in info and 'OpenMP not found' not in info
+                and sys.platform != 'darwin'):
+            extra_compile_args['cxx'] += ['-DAT_PARALLEL_OPENMP']
+            if sys.platform == 'win32':
+                extra_compile_args['cxx'] += ['/openmp']
+            else:
+                extra_compile_args['cxx'] += ['-fopenmp']
+        else:
+            print('Compiling without OpenMP...')
+
+        # Compile for mac arm64
+        if (sys.platform == 'darwin' and platform.machine() == 'arm64'):
+            extra_compile_args['cxx'] += ['-arch', 'arm64']
+            extra_link_args += ['-arch', 'arm64']
+
         if suffix == 'cuda':
             define_macros += [('WITH_CUDA', None)]
             nvcc_flags = os.getenv('NVCC_FLAGS', '')
@@ -53,11 +73,6 @@ def get_extensions():
         if suffix == 'cuda' and osp.exists(path):
             sources += [path]
 
-        # Compile for mac arm64
-        if (sys.platform == 'darwin' and platform.machine() == 'arm64'):
-            extra_compile_args['cxx'] += ['-arch', 'arm64']
-            extra_link_args += ['-arch', 'arm64']
-
         Extension = CppExtension if suffix == 'cpu' else CUDAExtension
         extension = Extension(
             f'torch_spline_conv._{name}_{suffix}',
@@ -73,33 +88,37 @@ def get_extensions():
 
 
 install_requires = []
-setup_requires = []
-tests_require = ['pytest', 'pytest-runner', 'pytest-cov']
+
+test_requires = [
+    'pytest',
+    'pytest-cov',
+]
 
 setup(
     name='torch_spline_conv',
-    version='1.2.1',
-    author='Matthias Fey',
-    author_email='matthias.fey@tu-dortmund.de',
-    url='https://github.com/rusty1s/pytorch_spline_conv',
+    version=__version__,
     description=('Implementation of the Spline-Based Convolution Operator of '
                  'SplineCNN in PyTorch'),
+    author='Matthias Fey',
+    author_email='matthias.fey@tu-dortmund.de',
+    url=URL,
+    download_url=f'{URL}/archive/{__version__}.tar.gz',
     keywords=[
         'pytorch',
         'geometric-deep-learning',
         'graph-neural-networks',
         'spline-cnn',
     ],
-    license='MIT',
-    python_requires='>=3.6',
+    python_requires='>=3.7',
     install_requires=install_requires,
-    setup_requires=setup_requires,
-    tests_require=tests_require,
-    extras_require={'test': tests_require},
+    extras_require={
+        'test': test_requires,
+    },
     ext_modules=get_extensions() if not BUILD_DOCS else [],
     cmdclass={
         'build_ext':
         BuildExtension.with_options(no_python_abi_suffix=True, use_ninja=False)
     },
     packages=find_packages(),
+    include_package_data=True,
 )