trouble with rdkit installation

[Nilesh Banavali]

We followed all the instructions for installing autogrow4 and seemed to be successful in installing all dependencies, except for rdkit, where we get the error shown below.Could you please advise on how to proceed.

Thanks,

Nilesh

(base) banavali@Sulawesi:~/work/progs/autogrow4/autogrow4/tutorial$ conda install -c rdkit rdkit
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: |
Found conflicts! Looking for incompatible packages.
This can take several minutes. Press CTRL-C to abort.
failed \

UnsatisfiableError: The following specifications were found
to be incompatible with the existing python installation in your environment:

Specifications:

• rdkit -> python[version='2.6.|2.7.|3.5.|3.6.|>=2.7,<2.8.0a0|>=3.6,<3.7.0a0|>=3.7,<3.8.0a0|>=3.5,<3.6.0a0|3.4.*']

Your python: python=3.9

If python is on the left-most side of the chain, that's the version you've asked for.
When python appears to the right, that indicates that the thing on the left is somehow
not available for the python version you are constrained to. Note that conda will not
change your python version to a different minor version unless you explicitly specify
that.

The following specifications were found to be incompatible with your system:

• feature:/linux-64::__glibc==2.31=0
• feature:|@/linux-64::__glibc==2.31=0
• rdkit -> libgcc-ng[version='>=7.3.0'] -> __glibc[version='>=2.17']

Your installed version is: 2.31

[Jacob Durrant]

Hi Nilesh. Thanks for reaching out about the installation of Autogrow4. I appreciate your interest in our software. It seems that the issue you encountered is related to RDKit, which my group does not maintain. I recommend contacting the RDKit developers directly. They would be better equipped to help you in this case. Best of luck with your project.

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