[Libxc] version 7.0.0 + CUDA binaries for aarch64 #9676
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fingolfin
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Oct 24, 2024
L/Libxc/Libxc_GPU/build_tarballs.jl
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| include("../sources.jl") | ||
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| sources = [ | ||
| sources; | ||
| DirectorySource("./bundled") | ||
| # aarch64 binaries precompiled and hosted on GitHub |
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Perhaps add a comment here explaining why this is done instead of building them in the recipe?
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This a follow up of PR #9580. Since Libxc v7.0.0 was released in the meantime, the previous PR (update to v6.2.2) was closed before merging. The following is essentially the same description.
Update Libxc version from 6.1.0 to 7.0.0.
Additionally, added recipes for the combination of
aarch64and CUDA, for Libxc_GPU_jll. Because BinaryBuilder only runs onx86_64, andnvccis not a cross compiler, this is a non-trivial operation.Pre-compiled binaries are available on a separate GitHub repository, specifically created for this purpose. The aarch64 BinaryBuilder recipe downloads the binary for the given CUDA version (from 11.4 to 12.6), and repackages it in the correct format.
The binaries were all generated in Docker images, for total control of the environment and reproducibility. All scripts and recipes are available in https://github.com/abussy/libxc_aarch64_gpu_binaries as well. After a discussion on the Julia slack, special care was given to the
glibcversion andRPATH. Allglibcsymbols used by the libxc.so shared library come from version 2.17, as per the BinaryBuilder requirements foraarch64.Both
x86_64andaarch64GPU binaries were successfully tested using the Libxc.jl and DFTK.jl packages.