Comments (5)
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.
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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
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@PhiMykah See manylinux
docker images to build compatible wheel: https://github.com/pypa/manylinux
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@hainm Thank you! I will begin looking into it.
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thanks @PhiMykah.
It will be wonderful if you could resolve this issue.
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