chembl/ChEMBL_Structure_Pipeline

conflict during installation

Closed this issue · 5 comments

nbosc commented

Despite having a running conda environment with chembl_structure_pipeline installed, every new environnement I create fail to install the package. Issue is:

(early_2021) C02XJ285JGH6:~ nbosc$ conda install -c chembl chembl_structure_pipeline
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 each other:

Output in format: Requested package -> Available versions
greglandrum commented

Hi @nbosc ,
Which python version/OS are you using? Do you have conda-forge in your list of channels?

I was able to install the package in a new conda environment without problems. Just to be sure, could you please try starting from an environment where only python is installed and then seeing if you can install chembl_structure_pipeline there?

nbosc commented

Hi @greglandrum,

OS: MacOS 10.15.7
Python tested: 3.7 and 3.8

Successful installation when using the conda-forge channel

eloyfelix commented

Hi Greg,

Since conda-forge guys are also making builds of the package I suggested him to install the package + rdkit using the conda-forge channel (not chembl nor rdkit channels) until we have time to investigate if his issue is due to the conda mac os version, channels conflict, etc...

I was also considering to recommend the users to install it using conda-forge. What do you think about it?

greglandrum commented

Yeah, I think pointing people to conda-forge totally makes sense.
We should update the docs...
PR on its way.

eloyfelix commented

not sure why we didn't close this issue before but now can be also installed using pip

pip install chembl_structure_pipeline