forlilab / Meeko

Interfacing RDKit and AutoDock
GNU Lesser General Public License v2.1
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Meeko Conda install not working #2

Closed qqq12a closed 2 years ago

qqq12a commented 2 years ago

Hi,

OS: Linux (Ubuntu 20.04.2)

I was trying to install Meeko via conda in an already created environment (Python 3.7.11) and I get the following error:

$ conda install -c ccsb-scripps meeko
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 versionsThe following specifications were found to be incompatible with your system:

  - feature:/linux-64::__glibc==2.31=0
  - python=3.7 -> libgcc-ng[version='>=7.5.0'] -> __glibc[version='>=2.17']

Your installed version is: 2.31

I try to update my conda and check my channels but

$ conda config --show channels
channels:
  - defaults

I have found several posts (not from vina) complaining about this, but haven’t found a solution yet. I am gonna continue looking out there, but if anybody has faced this issue and has been able to solve it, it would be great if you could explain how you did it! Thank you.

jeeberhardt commented 2 years ago

Hi,

Sorry about this, Conda can be particularly troublesome sometimes. In the meantime, I would highly suggest you to use the version from Github directly (develop branch). The one available on conda has not been updated since a couple of months now...

Jérôme.

qqq12a commented 2 years ago

thank you, it`s work