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bioexcel / biobb_wf_virtual-screening

This tutorials aim to illustrate the process of protein-ligand docking, step by step, using the BioExcel Building Blocks library (biobb).
https://mmb.irbbarcelona.org/biobb/
Apache License 2.0
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Unable to Create Conda Environment #1

Closed christos-efthymiou closed 6 months ago

christos-efthymiou commented 8 months ago

I wanted to follow along with one of the tutorials, but after cloning and repository and going into the biobb_wf_virtual-screening folder, I see the following after trying to create the conda environment: Channels:

LibMambaUnsatisfiableError: Encountered problems while solving:

Could not solve for environment specs The following packages are incompatible ├─ biobb_chemistry 4.1.0 is not installable because it requires │ └─ ambertools >=22.0 , which does not exist (perhaps a missing channel); └─ biobb_vs 4.1.1 is not installable because it requires └─ fpocket >=3.1.4.2 , which does not exist (perhaps a missing channel).

I just completed the 2 first steps of the conda installation process and then encountered the above error when I tried the third step.

I was expecting the conda environment to be created so then I could activate it and follow along with one of the tutorials.

gbayarri commented 8 months ago

Hi, both of these packages, fpocket and ambertools, are not compatible with windows. So, as the two of them are dependencies of biobb_vs and biobb_chemistry, you get this error.

Try in ubuntu or mac. If you don't have none of these operating systems, then enable the WSL in your Windows:

https://mmb.irbbarcelona.org/biobb/availability/tutorials/windows

Best.

github-actions[bot] commented 7 months ago

This issue is stale because it has been open for 30 days with no activity. If there is no more activity in the following 14 days it will be automatically closed.

github-actions[bot] commented 6 months ago

This issue was closed because it has been inactive for 14 days since being marked as stale.