rdkit dependency not installed

[bittremieux]

rdkit dependency not installed

[bittremieux]

Apparently not explicitly specifying the conda-forge channel misses dependencies that need to be retrieved from there. I'd set up global channel priorities, which is why I didn't run into that problem.

You can install spectrum_utils and all dependencies using the following command:

conda install -c conda-forge -c bioconda -c defaults spectrum_utils

The documentation has been updated accordingly.

Thank you for reporting this issue.

[bittremieux]

That's weird; I just tried to install spectrum_utils in a clean conda environment and all dependencies got automatically installed as well, as expected.

All the other dependencies were installed correctly? There shouldn't be anything special about RDKit compared to those, so I'm not sure what's going on.

Which conda version are you using and which Python version in the conda environment? What is the channel preference for conda?

[lgatto]

Here's what I used for the installation:

$  bin ./conda --version
conda 4.7.12

and

(py36) $ python --version
Python 3.6.9 :: Anaconda, Inc.

This was also a fresh install. I hadn't set any channels or any channel priorities.

As far as I can say, all other dependencies installed correctly - at least I didn't get any error messages, except for a missing RDkit.