volkamerlab / teachopencadd

TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
https://projects.volkamerlab.org/teachopencadd
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[DL_edition] Windows CI mamba setup fails #369

Open mbackenkoehler opened 1 year ago

mbackenkoehler commented 1 year ago

Windows CI is failing during miniconda setup:

Run conda-incubator/setup-miniconda@v2
Gathering Inputs...
Creating bootstrap condarc file in C:\Users\runneradmin\.condarc...
Ensuring installer...
Running installer...
Setup environment variables...
Parsing environment...
Configuring conda package cache...
Applying initial configuration...
Initializing conda shell integration...
Adding tools to 'base' env...
Ensuring environment...
Updating 'teachopencadd' env from conda env update...

Error: The process 'C:\Miniconda3\condabin\mamba.bat' failed with exit code 1
mbackenkoehler commented 1 year ago

When switching to setup-micromamba the following appears in the log

2023-05-26T08:46:55.3514041Z error    libmamba Could not solve for environment specs
2023-05-26T08:46:55.3514479Z     The following package could not be installed
2023-05-26T08:46:55.3573974Z     └─ pyg 2.2.0  does not exist (perhaps a typo or a missing channel).
mbackenkoehler commented 1 year ago

On windows, pyg needs to be handled differently. See here.

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