re-work haddock3 installation#1013
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rvhonorato merged 49 commits intomainfrom Sep 20, 2024
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this CLI checks if the binaries are in the proper locations
This was referenced Sep 11, 2024
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Tried this in a conda python 3.9 environment. |
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I cannot replicate this, and seems like there's an issue with your package management, as written in the error message above - so it's probably related to that "Works on my machine" both with native python and anaconda |
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For prosperity: we found an error with the maximum path size that CNS allows - @amjjbonvin managed to patch it |
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This was referenced Sep 20, 2024
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This PR drastically changes the haddock3 installation.
We no longer use submodules. For
fccthe code has already been aded to the project (#1019) and forfastrmsd-matrix@mgiulini gave us permission to copy the source here, thanks!This external code is built with a
CustomBuildinsetup.py.Another main pain point is CNS, here I've added logic to determine the system's arch and download a provided pre-compiled binary - keep in mind that the installation will fail for unsupported architecture. I understand there might be possible to have a workflow without CNS after #921, the installation should then be reviewed.
To test it, follow these commands:
@haddocking/haddock-developers please look at this one very carefully