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re-work haddock3 installation #1013
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this CLI checks if the binaries are in the proper locations
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 |
For prosperity: we found an error with the maximum path size that CNS allows - @amjjbonvin managed to patch it |
This PR drastically changes the haddock3 installation.
We no longer use submodules. For
fcc
the 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
CustomBuild
insetup.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