prepare tracing

.coveragerc

@@ -3,5 +3,6 @@ source=torch_spline_conv
 [report]
 exclude_lines =
     pragma: no cover
-    cuda
-    backward
+    torch.jit.script
+    raise
+    except

.gitignore

 __pycache__/
-_ext/
 build/
 dist/
 .cache/

LICENSE

-Copyright (c) 2019 Matthias Fey <matthias.fey@tu-dortmund.de>
+Copyright (c) 2020 Matthias Fey <matthias.fey@tu-dortmund.de>
 
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal

MANIFEST.in

+include README.md
 include LICENSE
-recursive-include cpu *
-recursive-include cuda *
+
+recursive-exclude test *
+recursive-include csrc *

README.md

@@ -21,11 +21,30 @@ The operator works on all floating point data types and is implemented both for
 
 ## Installation
 
-Ensure that at least PyTorch 1.1.0 is installed and verify that `cuda/bin` and `cuda/include` are in your `$PATH` and `$CPATH` respectively, *e.g.*:
+### Binaries
+
+We provide pip wheels for all major OS/PyTorch/CUDA combinations, see [here](https://pytorch-geometric.com/whl).
+To install the binaries for PyTorch 1.4.0, simply run
+
+```
+pip install torch-spline-conv==latest+${CUDA} -f https://pytorch-geometric.com/whl/torch-1.4.0.html
+```
+
+where `${CUDA}` should be replaced by either `cpu`, `cu92`, `cu100` or `cu101` depending on your PyTorch installation.
+
+|             | `cpu` | `cu92` | `cu100` | `cu101` |
+|-------------|-------|--------|---------|---------|
+| **Linux**   | ✅    | ✅     | ✅      | ✅      |
+| **Windows** | ✅    | ❌     | ❌      | ✅      |
+| **macOS**   | ✅    |        |         |         |
+
+### From source
+
+Ensure that at least PyTorch 1.4.0 is installed and verify that `cuda/bin` and `cuda/include` are in your `$PATH` and `$CPATH` respectively, *e.g.*:
 
 ```
 $ python -c "import torch; print(torch.__version__)"
->>> 1.1.0
+>>> 1.4.0
 
 $ echo $PATH
 >>> /usr/local/cuda/bin:...
@@ -40,24 +59,28 @@ Then run:
 pip install torch-spline-conv
 ```
 
-If you are running into any installation problems, please create an [issue](https://github.com/rusty1s/pytorch_spline_conv/issues).
-Be sure to import `torch` first before using this package to resolve symbols the dynamic linker must see.
+When running in a docker container without NVIDIA driver, PyTorch needs to evaluate the compute capabilities and may fail.
+In this case, ensure that the compute capabilities are set via `TORCH_CUDA_ARCH_LIST`, *e.g.*:
+
+```
+export TORCH_CUDA_ARCH_LIST = "6.0 6.1 7.2+PTX 7.5+PTX"
+```
 
 ## Usage
 
 ```python
-from torch_spline_conv import SplineConv
-
-out = SplineConv.apply(x,
-                       edge_index,
-                       pseudo,
-                       weight,
-                       kernel_size,
-                       is_open_spline,
-                       degree=1,
-                       norm=True,
-                       root_weight=None,
-                       bias=None)
+from torch_spline_conv import spline_conv
+
+out = spline_conv(x,
+                  edge_index,
+                  pseudo,
+                  weight,
+                  kernel_size,
+                  is_open_spline,
+                  degree=1,
+                  norm=True,
+                  root_weight=None,
+                  bias=None)
 ```
 
 Applies the spline-based convolution operator
@@ -93,7 +116,7 @@ The kernel function is defined over the weighted B-spline tensor product basis,
 
 ```python
 import torch
-from torch_spline_conv import SplineConv
+from torch_spline_conv import spline_conv
 
 x = torch.rand((4, 2), dtype=torch.float)  # 4 nodes with 2 features each
 edge_index = torch.tensor([[0, 1, 1, 2, 2, 3], [1, 0, 2, 1, 3, 2]])  # 6 edges
@@ -106,8 +129,8 @@ norm = True  # Normalize output by node degree.
 root_weight = torch.rand((2, 4), dtype=torch.float)  # separately weight root nodes
 bias = None  # do not apply an additional bias
 
-out = SplineConv.apply(x, edge_index, pseudo, weight, kernel_size,
-                       is_open_spline, degree, norm, root_weight, bias)
+out = spline_conv(x, edge_index, pseudo, weight, kernel_size,
+                  is_open_spline, degree, norm, root_weight, bias)
 
 print(out.size())
 torch.Size([4, 4])  # 4 nodes with 4 features each

setup.py

+import os
+import os.path as osp
+import glob
 from setuptools import setup, find_packages
-from sys import argv
+
 import torch
+from torch.utils.cpp_extension import BuildExtension
 from torch.utils.cpp_extension import CppExtension, CUDAExtension, CUDA_HOME
 
-TORCH_MAJOR = int(torch.__version__.split('.')[0])
-TORCH_MINOR = int(torch.__version__.split('.')[1])
+WITH_CUDA = torch.cuda.is_available() and CUDA_HOME is not None
+if os.getenv('FORCE_CUDA', '0') == '1':
+    WITH_CUDA = True
+if os.getenv('FORCE_CPU', '0') == '1':
+    WITH_CUDA = False
+
+BUILD_DOCS = os.getenv('BUILD_DOCS', '0') == '1'
+
+
+def get_extensions():
+    Extension = CppExtension
+    define_macros = []
+    extra_compile_args = {'cxx': []}
+
+    if WITH_CUDA:
+        Extension = CUDAExtension
+        define_macros += [('WITH_CUDA', None)]
+        nvcc_flags = os.getenv('NVCC_FLAGS', '')
+        nvcc_flags = [] if nvcc_flags == '' else nvcc_flags.split(' ')
+        extra_compile_args['nvcc'] = nvcc_flags
+
+    extensions_dir = osp.join(osp.dirname(osp.abspath(__file__)), 'csrc')
+    main_files = glob.glob(osp.join(extensions_dir, '*.cpp'))
+    extensions = []
+    for main in main_files:
+        name = main.split(os.sep)[-1][:-4]
 
-extra_compile_args = []
-if (TORCH_MAJOR > 1) or (TORCH_MAJOR == 1 and TORCH_MINOR > 2):
-    extra_compile_args += ['-DVERSION_GE_1_3']
+        sources = [main]
 
-ext_modules = [
-    CppExtension('torch_spline_conv.basis_cpu', ['cpu/basis.cpp'],
-                 extra_compile_args=extra_compile_args),
-    CppExtension('torch_spline_conv.weighting_cpu', ['cpu/weighting.cpp'],
-                 extra_compile_args=extra_compile_args),
-]
-cmdclass = {'build_ext': torch.utils.cpp_extension.BuildExtension}
+        path = osp.join(extensions_dir, 'cpu', f'{name}_cpu.cpp')
+        if osp.exists(path):
+            sources += [path]
 
-GPU = True
-for arg in argv:
-    if arg == '--cpu':
-        GPU = False
-        argv.remove(arg)
+        path = osp.join(extensions_dir, 'cuda', f'{name}_cuda.cu')
+        if WITH_CUDA and osp.exists(path):
+            sources += [path]
 
-if CUDA_HOME is not None and GPU:
-    ext_modules += [
-        CUDAExtension('torch_spline_conv.basis_cuda',
-                      ['cuda/basis.cpp', 'cuda/basis_kernel.cu'],
-                      extra_compile_args=extra_compile_args),
-        CUDAExtension('torch_spline_conv.weighting_cuda',
-                      ['cuda/weighting.cpp', 'cuda/weighting_kernel.cu'],
-                      extra_compile_args=extra_compile_args),
-    ]
+        extension = Extension(
+            'torch_scatter._' + name,
+            sources,
+            include_dirs=[extensions_dir],
+            define_macros=define_macros,
+            extra_compile_args=extra_compile_args,
+        )
+        extensions += [extension]
+
+    return extensions
 
-__version__ = '1.1.1'
-url = 'https://github.com/rusty1s/pytorch_spline_conv'
 
 install_requires = []
 setup_requires = ['pytest-runner']
@@ -43,23 +62,26 @@ tests_require = ['pytest', 'pytest-cov']
 
 setup(
     name='torch_spline_conv',
-    version=__version__,
-    description=('Implementation of the Spline-Based Convolution Operator of '
-                 'SplineCNN in PyTorch'),
+    version='1.2.0',
     author='Matthias Fey',
     author_email='matthias.fey@tu-dortmund.de',
-    url=url,
-    download_url='{}/archive/{}.tar.gz'.format(url, __version__),
+    url='https://github.com/rusty1s/pytorch_spline_conv',
+    description=('Implementation of the Spline-Based Convolution Operator of '
+                 'SplineCNN in PyTorch'),
     keywords=[
         'pytorch',
         'geometric-deep-learning',
         'graph-neural-networks',
         'spline-cnn',
     ],
+    license='MIT',
+    python_requires='>=3.6',
     install_requires=install_requires,
     setup_requires=setup_requires,
     tests_require=tests_require,
-    ext_modules=ext_modules,
-    cmdclass=cmdclass,
+    ext_modules=get_extensions() if not BUILD_DOCS else [],
+    cmdclass={
+        'build_ext': BuildExtension.with_options(no_python_abi_suffix=True)
+    },
     packages=find_packages(),
 )

test/test_basis.py

@@ -2,7 +2,7 @@ from itertools import product
 
 import pytest
 import torch
-from torch_spline_conv.basis import SplineBasis
+from torch_spline_conv import spline_basis
 
 from .utils import dtypes, devices, tensor
 
@@ -34,7 +34,7 @@ def test_spline_basis_forward(test, dtype, device):
     is_open_spline = tensor(test['is_open_spline'], torch.uint8, device)
     degree = 1
 
-    op = SplineBasis.apply
-    basis, weight_index = op(pseudo, kernel_size, is_open_spline, degree)
+    basis, weight_index = spline_basis(pseudo, kernel_size, is_open_spline,
+                                       degree)
     assert basis.tolist() == test['basis']
     assert weight_index.tolist() == test['weight_index']

test/test_conv.py

@@ -3,11 +3,12 @@ from itertools import product
 import pytest
 import torch
 from torch.autograd import gradcheck
-from torch_spline_conv import SplineConv
-from torch_spline_conv.basis import implemented_degrees as degrees
+from torch_spline_conv import spline_conv
 
 from .utils import dtypes, devices, tensor
 
+degrees = [1, 2, 3]
+
 tests = [{
     'x': [[9, 10], [1, 2], [3, 4], [5, 6], [7, 8]],
     'edge_index': [[0, 0, 0, 0], [1, 2, 3, 4]],
@@ -51,12 +52,12 @@ def test_spline_conv_forward(test, dtype, device):
     root_weight = tensor(test['root_weight'], dtype, device)
     bias = tensor(test['bias'], dtype, device)
 
-    out = SplineConv.apply(x, edge_index, pseudo, weight, kernel_size,
-                           is_open_spline, 1, True, root_weight, bias)
+    out = spline_conv(x, edge_index, pseudo, weight, kernel_size,
+                      is_open_spline, 1, True, root_weight, bias)
     assert out.tolist() == test['expected']
 
 
-@pytest.mark.parametrize('degree,device', product(degrees.keys(), devices))
+@pytest.mark.parametrize('degree,device', product(degrees, devices))
 def test_spline_basis_backward(degree, device):
     x = torch.rand((3, 2), dtype=torch.double, device=device)
     x.requires_grad_()
@@ -74,4 +75,4 @@ def test_spline_basis_backward(degree, device):
 
     data = (x, edge_index, pseudo, weight, kernel_size, is_open_spline, degree,
             True, root_weight, bias)
-    assert gradcheck(SplineConv.apply, data, eps=1e-6, atol=1e-4) is True
+    assert gradcheck(spline_conv, data, eps=1e-6, atol=1e-4) is True

test/test_weighting.py

@@ -3,8 +3,7 @@ from itertools import product
 import pytest
 import torch
 from torch.autograd import gradcheck
-from torch_spline_conv.weighting import SplineWeighting
-from torch_spline_conv.basis import SplineBasis
+from torch_spline_conv import spline_weighting, spline_basis
 
 from .utils import dtypes, devices, tensor
 
@@ -27,7 +26,7 @@ def test_spline_weighting_forward(test, dtype, device):
     basis = tensor(test['basis'], dtype, device)
     weight_index = tensor(test['weight_index'], torch.long, device)
 
-    out = SplineWeighting.apply(x, weight, basis, weight_index)
+    out = spline_weighting(x, weight, basis, weight_index)
     assert out.tolist() == test['expected']
 
 
@@ -38,8 +37,8 @@ def test_spline_weighting_backward(device):
     is_open_spline = tensor([1, 1], torch.uint8, device)
     degree = 1
 
-    op = SplineBasis.apply
-    basis, weight_index = op(pseudo, kernel_size, is_open_spline, degree)
+    basis, weight_index = spline_basis(pseudo, kernel_size, is_open_spline,
+                                       degree)
     basis.requires_grad_()
 
     x = torch.rand((4, 2), dtype=torch.double, device=device)
@@ -48,4 +47,4 @@ def test_spline_weighting_backward(device):
     weight.requires_grad_()
 
     data = (x, weight, basis, weight_index)
-    assert gradcheck(SplineWeighting.apply, data, eps=1e-6, atol=1e-4) is True
+    assert gradcheck(spline_weighting, data, eps=1e-6, atol=1e-4) is True

test/utils.py

@@ -4,7 +4,7 @@ dtypes = [torch.float, torch.double]
 
 devices = [torch.device('cpu')]
 if torch.cuda.is_available():
-    devices += [torch.device('cuda:{}'.format(torch.cuda.current_device()))]
+    devices += [torch.device(f'cuda:{torch.cuda.current_device()}')]
 
 
 def tensor(x, dtype, device):

torch_spline_conv/__init__.py

-from .basis import SplineBasis
-from .weighting import SplineWeighting
-from .conv import SplineConv
+import importlib
+import os.path as osp
 
-__version__ = '1.1.1'
+import torch
 
-__all__ = ['SplineBasis', 'SplineWeighting', 'SplineConv', '__version__']
+__version__ = '1.2.0'
+expected_torch_version = (1, 4)
+
+try:
+    for library in ['_version', '_basis', '_weighting']:
+        torch.ops.load_library(importlib.machinery.PathFinder().find_spec(
+            library, [osp.dirname(__file__)]).origin)
+except OSError as e:
+    major, minor = [int(x) for x in torch.__version__.split('.')[:2]]
+    t_major, t_minor = expected_torch_version
+    if major != t_major or (major == t_major and minor != t_minor):
+        raise RuntimeError(
+            f'Expected PyTorch version {t_major}.{t_minor} but found '
+            f'version {major}.{minor}.')
+    raise OSError(e)
+
+if torch.version.cuda is not None:  # pragma: no cover
+    cuda_version = torch.ops.torch_scatter.cuda_version()
+
+    if cuda_version == -1:
+        major = minor = 0
+    elif cuda_version < 10000:
+        major, minor = int(str(cuda_version)[0]), int(str(cuda_version)[2])
+    else:
+        major, minor = int(str(cuda_version)[0:2]), int(str(cuda_version)[3])
+    t_major, t_minor = [int(x) for x in torch.version.cuda.split('.')]
+
+    if t_major != major or t_minor != minor:
+        raise RuntimeError(
+            f'Detected that PyTorch and torch_spline_conv were compiled with '
+            f'different CUDA versions. PyTorch has CUDA version '
+            f'{t_major}.{t_minor} and torch_spline_conv has CUDA version '
+            f'{major}.{minor}. Please reinstall the torch_spline_conv that '
+            f'matches your PyTorch install.')
+
+from .basis import spline_basis  # noqa
+from .weighting import spline_weighting  # noqa
+from .conv import spline_conv  # noqa
+
+__all__ = [
+    'spline_basis',
+    'spline_weighting',
+    'spline_conv',
+    '__version__',
+]

torch_spline_conv/basis.py

-import torch
-import torch_spline_conv.basis_cpu
-
-if torch.cuda.is_available():
-    import torch_spline_conv.basis_cuda
+from typing import Tuple
 
-implemented_degrees = {1: 'linear', 2: 'quadratic', 3: 'cubic'}
+import torch
 
 
-def get_func(name, tensor):
-    if tensor.is_cuda:
-        return getattr(torch_spline_conv.basis_cuda, name)
-    else:
-        return getattr(torch_spline_conv.basis_cpu, name)
+@torch.jit.script
+def spline_basis(pseudo: torch.Tensor, kernel_size: torch.Tensor,
+                 is_open_spline: torch.Tensor,
+                 degree: int) -> Tuple[torch.Tensor, torch.Tensor]:
+    return torch.ops.torch_spline_conv.spline_basis(pseudo, kernel_size,
+                                                    is_open_spline, degree)
 
 
-class SplineBasis(torch.autograd.Function):
-    @staticmethod
-    def forward(ctx, pseudo, kernel_size, is_open_spline, degree):
-        ctx.save_for_backward(pseudo)
-        ctx.kernel_size = kernel_size
-        ctx.is_open_spline = is_open_spline
-        ctx.degree = degree
+# class SplineBasis(torch.autograd.Function):
+#     @staticmethod
+#     def forward(ctx, pseudo, kernel_size, is_open_spline, degree):
+#         ctx.save_for_backward(pseudo)
+#         ctx.kernel_size = kernel_size
+#         ctx.is_open_spline = is_open_spline
+#         ctx.degree = degree
 
-        op = get_func('{}_fw'.format(implemented_degrees[degree]), pseudo)
-        basis, weight_index = op(pseudo, kernel_size, is_open_spline)
+#         op = get_func('{}_fw'.format(implemented_degrees[degree]), pseudo)
+#         basis, weight_index = op(pseudo, kernel_size, is_open_spline)
 
-        return basis, weight_index
+#         return basis, weight_index
 
-    @staticmethod
-    def backward(ctx, grad_basis, grad_weight_index):
-        pseudo, = ctx.saved_tensors
-        kernel_size, is_open_spline = ctx.kernel_size, ctx.is_open_spline
-        degree = ctx.degree
-        grad_pseudo = None
+#     @staticmethod
+#     def backward(ctx, grad_basis, grad_weight_index):
+#         pseudo, = ctx.saved_tensors
+#         kernel_size, is_open_spline = ctx.kernel_size, ctx.is_open_spline
+#         degree = ctx.degree
+#         grad_pseudo = None
 
-        if ctx.needs_input_grad[0]:
-            op = get_func('{}_bw'.format(implemented_degrees[degree]), pseudo)
-            grad_pseudo = op(grad_basis, pseudo, kernel_size, is_open_spline)
+#         if ctx.needs_input_grad[0]:
+#             grad_pseudo = op(grad_basis, pseudo, kernel_size, is_open_spline)
 
-        return grad_pseudo, None, None, None
+#         return grad_pseudo, None, None, None