Python version problem

[SomeAnonimCoder]

Configuration:

• RDKit Version: latest from conda
• Operating system: linux Manjaro
• Python version (if relevant): 3.8
• Are you using conda? yes
• If you are using conda, which channel did you install the rdkit from? rdkit

Description: Installation in jupyter notebook with comand:

! conda install -c rdkit rdkit -y

fails with message:

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=3.8

Are there reasons why python 3.8 and higher are uncompatible with RDKit? If no, should this be fixed by creating new build for python 3.8-3.9

[DavidACosgrove]

It’s best if you use -c conda-forge.

On Wed, 5 Jan 2022 at 19:36, Glubshev Artem @.***> wrote:

Configuration:

• RDKit Version: latest from conda
• Operating system: linux Manjaro
• Python version (if relevant): 3.8
• Are you using conda? yes
• If you are using conda, which channel did you install the rdkit from? rdkit

Description: Installation in jupyter notebook with comand:

! conda install -c rdkit rdkit -y

fails with message:

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=3.8

Are there reasons why python 3.8 and higher are uncompatible with RDKit? If no, should this be fixed by creating new build for python 3.8-3.9

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[SomeAnonimCoder]

So, is rdkit channel deprecated?

[greglandrum]

So, is rdkit channel deprecated?

We still use it to make beta builds available, but I no longer do production builds there. I've tried to update the docs to point to conda-forge, but if you found somewhere that I missed which is still pointing to the rdkit channel please let me know

[greglandrum]

I'm closing this because it looks like the question is answered. Please reopen if necessary.

[cpoptic]

FYI, at least one place where the deprecated rdkit channel is referenced for installation is here where it specifies to run conda install -c rdkit rdkit-postgresql

I found after installing via conda install -c conda-forge rdkit that the older v2020.09.1.0 version was installed. To upgrade to the most recent 2021.09.5 version, I needed to run conda update -c conda-forge rdkit

So make sure you are both installing and updating the package if installing through conda.

[greglandrum]

FYI, at least one place where the deprecated rdkit channel is referenced for installation is here where it specifies to run conda install -c rdkit rdkit-postgresql

This is actually accurate. There is not currently a conda-forge build of the rdkit-postgresql cartridge. No one has yet had the time to set up the conda-forge builds.

I found after installing via conda install -c conda-forge rdkit that the older v2020.09.1.0 version was installed. To upgrade to the most recent 2021.09.5 version, I needed to run conda update -c conda-forge rdkit

So make sure you are both installing and updating the package if installing through conda.

A suggestion: It's generally possible to avoid having the postgresql-cartridge and rdkit python packages installed in the same conda environment. This avoids any compatibility problems there.