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1. PhiMykah commented on Jan 24, 2024

   

   PhiMykah

   on Jan 24, 2024

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   Hello @hainm ! I am interested in tackling this. Let me know if there are any resources you think I should have or things I should know while in this process.
2. hainm commented on Jan 24, 2024

   

   hainm

   on Jan 24, 2024

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   Dear @PhiMykah

   I've outlined the easy way to do thing above.

   Easiest way (different from what other people are doing)

   Basically:

   • For each python version, download the ambertools conda build here: https://anaconda.org/conda-forge/ambertools/files
   • use this simple conda recipe for pytraj to unpack the ambertools build and copy to corresponding folder: https://github.com/Amber-MD/pytraj/tree/master/devtools/conda-recipe/pytraj
   • make sure to copy the libcpptraj.{so,dylib} in the ambertools conda build too.

   Official way: But it's for conda-build only, not for pip install.

   • Create libcpptraj build recipe in conda-forge, use their infra to build libcpptraj and (automatically) push to anaconda repo
   • The create pytraj build recipe in conda-forge, using libcpptraj above as dependency.

   It's a bit complicated (because I didn't know better way).
   But for reference: those are scripts I used many years ago:

   • Track down the code in https://github.com/Amber-MD/pytraj/blob/master/devtools/builder/run_docker_build_wheels_linux.sh
3. hainm commented on Jan 24, 2024

   

   hainm

   on Jan 24, 2024

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   @PhiMykah See manylinux docker images to build compatible wheel: https://github.com/pypa/manylinux
4. PhiMykah commented on Jan 24, 2024

   

   PhiMykah

   on Jan 24, 2024

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   @hainm Thank you! I will begin looking into it.
5. hainm commented on Jan 24, 2024

   

   hainm

   on Jan 24, 2024

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   thanks @PhiMykah.

   It will be wonderful if you could resolve this issue.