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I'm following the installation instructions (installing all this in a custom conda environment on a shared computing resource)
Everything has gone well up until the OpenFold installation step.
Bug description
After I run the command: (esm_gpu)$ pip install 'openfold @ git+https://github.com/aqlaboratory/openfold.git@4b41059694619831a7db195b7e0988fc4ff3a307'
I get the error:
Collecting openfold@ git+https://github.com/aqlaboratory/openfold.git@4b41059694619831a7db195b7e0988fc4ff3a307
Cloning https://github.com/aqlaboratory/openfold.git (to revision 4b41059694619831a7db195b7e0988fc4ff3a307) to /tmp/pip-install-ijszxkv5/openfold_9c0f532345174527be994f0e05bd4f36
Running command git clone --quiet https://github.com/aqlaboratory/openfold.git /tmp/pip-install-ijszxkv5/openfold_9c0f532345174527be994f0e05bd4f36
Running command git rev-parse -q --verify 'sha^4b41059694619831a7db195b7e0988fc4ff3a307'
Running command git fetch -q https://github.com/aqlaboratory/openfold.git 4b41059694619831a7db195b7e0988fc4ff3a307
Running command git checkout -q 4b41059694619831a7db195b7e0988fc4ff3a307
Resolved https://github.com/aqlaboratory/openfold.git to commit 4b41059694619831a7db195b7e0988fc4ff3a307
Preparing metadata (setup.py) ... error
error: subprocess-exited-with-error
× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [8 lines of output]
Traceback (most recent call last):
File "<string>", line 2, in <module>
File "<pip-setuptools-caller>", line 34, in <module>
File "/tmp/pip-install-ijszxkv5/openfold_9c0f532345174527be994f0e05bd4f36/setup.py", line 56, in <module>
_, bare_metal_major, _ = get_cuda_bare_metal_version(CUDA_HOME)
File "/tmp/pip-install-ijszxkv5/openfold_9c0f532345174527be994f0e05bd4f36/setup.py", line 40, in get_cuda_bare_metal_version
raw_output = subprocess.check_output([cuda_dir + "/bin/nvcc", "-V"], universal_newlines=True)
TypeError: unsupported operand type(s) for +: 'NoneType' and 'str'
[end of output]
note: This error originates from a subprocess, and is likely not a problem with pip.
error: metadata-generation-failed
× Encountered error while generating package metadata.
╰─> See above for output.
note: This is an issue with the package mentioned above, not pip.
hint: See above for details.
Not sure what to do here? Anybody have any suggestions of how to fix?
Thank you
EDIT: Looks like it has to do with my CUDA installation (or lack of one!)
Loading in CUDA fixed the error.
The text was updated successfully, but these errors were encountered:
Since I also run into this exact issue myself today, I wanted to leave a solution for posterity. If you're using conda/mamba, then you need to install cudatoolkit-dev from the conda-forge channel, because the standard cudatoolkit (listed in the yml file in the repo) is runtime-only and doesn't come with nvcc which is needed here.
Hi @DaRinker I am currently trying to install OpenFold in my virtualVM and stumbled upon exactly the same error as you. I wanted to know what did you exactly mean by loading CUDA? I have already installed nvcc and the cudatoolkit-dev @lm-jkominek mentioned but it has not worked UnU].
I'm following the installation instructions (installing all this in a custom conda environment on a shared computing resource)
Everything has gone well up until the OpenFold installation step.
Bug description
After I run the command:
(esm_gpu)$ pip install 'openfold @ git+https://github.com/aqlaboratory/openfold.git@4b41059694619831a7db195b7e0988fc4ff3a307'
I get the error:
Not sure what to do here? Anybody have any suggestions of how to fix?
Thank you
EDIT: Looks like it has to do with my CUDA installation (or lack of one!)
Loading in CUDA fixed the error.
The text was updated successfully, but these errors were encountered: