Pytorch_geometric: Error installing dependency PyTorch Scatter from wheel

[wecarsoniv]

📚 Installation

I've encountered an issue installing the first requirement for PyTorch Geometric in PyTorch Scatter. I'm attempting to install PyTorch Geometric as part of a Singularity container created from a Docker image with CUDA==11.0 and cuDNN=8. The error I receive says that I pass an Invalid version: latest+cu110 when trying to install PyTorch Scatter.

The first error I receive is displayed below:

+ pip install torch-scatter==latest+cu110 -f https://pytorch-geometric.com/whl/torch-1.7.0.html

Looking in links: https://pytorch-geometric.com/whl/torch-1.7.0.html

ERROR: Exception:
Traceback (most recent call last):
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/resolvers.py", line 171, in _merge_into_criterion
    crit = self.state.criteria[name]
KeyError: 'torch-scatter'

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/cli/base_command.py", line 210, in _main
    status = self.run(options, args)
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/cli/req_command.py", line 180, in wrapper
    return func(self, options, args)
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/commands/install.py", line 319, in run
    reqs, check_supported_wheels=not options.target_dir
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/resolver.py", line 122, in resolve
    requirements, max_rounds=try_to_avoid_resolution_too_deep,
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/resolvers.py", line 445, in resolve
    state = resolution.resolve(requirements, max_rounds=max_rounds)
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/resolvers.py", line 310, in resolve
    name, crit = self._merge_into_criterion(r, parent=None)
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/resolvers.py", line 173, in _merge_into_criterion
    crit = Criterion.from_requirement(self._p, requirement, parent)
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/resolvers.py", line 82, in from_requirement
    if not cands:
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/resolvelib/structs.py", line 124, in __bool__
    return bool(self._sequence)
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/found_candidates.py", line 96, in __bool__
    return any(self)
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/found_candidates.py", line 20, in _deduplicated_by_version
    for candidate in candidates:
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/factory.py", line 203, in iter_index_candidates
    version=ican.version,
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/factory.py", line 145, in _make_candidate_from_link
    link, template, factory=self, name=name, version=version,
  File "/usr/local/lib/python3.6/dist-packages/pip/_internal/resolution/resolvelib/candidates.py", line 290, in __init__
    wheel_version = Version(wheel.version)
  File "/usr/local/lib/python3.6/dist-packages/pip/_vendor/packaging/version.py", line 298, in __init__
    raise InvalidVersion("Invalid version: '{0}'".format(version))
pip._vendor.packaging.version.InvalidVersion: Invalid version: 'latest+cu110'
FATAL:   failed to execute %post proc: exit status 2

Just in case the latest flag was deprecated, I changed the previous installation command

pip install torch-scatter==latest+cu110 -f https://pytorch-geometric.com/whl/torch-1.7.0.html

to

pip install torch-scatter==2.5.0+cu110 -f https://pytorch-geometric.com/whl/torch-1.7.0.html

With the above installation command with an explicit PyTorch Scatter version I now get the following error:

ERROR: Requested torch-scatter==2.0.5+cu110 from https://pytorch-geometric.com/whl/torch-1.7.0/torch_scatter-2.0.5%2Bcu110-cp36-cp36m-linux_x86_64.whl has different version in metadata: '2.0.5'
FATAL:   failed to execute %post proc: exit status 1
FATAL:   While performing build: while running engine: while running /usr/local/libexec/singularity/bin/starter: exit status 255

Now I receive an error saying that there is a different version in metadata: '2.0.5'.

I have built this same Singularity container with the same PyTorch Geometric installation commands just last week, but now I am receiving installation errors. What should I do / how should I change the way I am trying to install PyTorch Geometric to avoid these errors? Thanks in advance for any help you can provide.

Environment

• OS: Linux Ubuntu 18.04
• Python version: 3.8
• PyTorch version: 1.7.0
• CUDA / cuDNN version: 11.0 / 8
• GCC version:
• How did you try to install PyTorch Geometric and its extensions (wheel, source): wheel
• Any other relevant information: N/A

Checklist

• [X] I followed the installation guide.
• [X] I cannot find my error message in the FAQ.
• [X] I set up CUDA correctly and can compile CUDA code via nvcc.
• [X] I do not have multiple CUDA versions on my machine.

Additional context

N/A

[rusty1s]

Seems related to https://github.com/rusty1s/pytorch_scatter/issues/179.

[lilleswing]

@wecarsoniv you can manually downgrade pip to 19.3 to get it to keep working until the .whls are rebuilt

[wecarsoniv]

@lilleswing thank you this solution worked

[rusty1s]

This is now resolved. You can now install the packages via:

pip install torch-scatter -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html
pip install torch-sparse -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html
pip install torch-cluster -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html
pip install torch-spline-conv -f https://pytorch-geometric.com/whl/torch-${TORCH}+${CUDA}.html

For example, for installing for PyTorch 1.7.0 with CUDA 11.0, type:

pip install torch-scatter torch-sparse torch-cluster torch-spline-conv -f https://pytorch-geometric.com/whl/torch-torch-1.7.0+cu110.html

All "old" links are still intact. You can have a look at all possible combinations here.