OpenBioSim / sire

Sire Molecular Simulations Framework
https://sire.openbiosim.org
GNU General Public License v3.0
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Feature linux x86 wrappers #223

Closed lohedges closed 2 months ago

lohedges commented 2 months ago

This PR adds a Dockerfile for building the Sire wrappers on Linux x86, called Dockerfile_x86. (I've renamed the existing Dockerfile as Dockerfile_arm64 and updated the build instructions accordingly.)

I've also added a --lib option to the generate_wrappers script to allow a user to only build the wrappers for a specific library from corelib, rather than all of the wrappers. This significantly reduces the build time when development is contained to one or few libraries.

Note that some of the dependencies in the container are quite old, e.g. Python 3.7 and clang10. This is all that I could get working locally, but will explore ways to update in future, e.g. retrying, or patching as necessary.

Suggested reviewers:

@chryswoods