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docker: intel oneapi and gnu based build #1

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@hfp hfp commented Jun 4, 2024

  • Docker image based on "rockylinux" (RPM distro) to supply something "HPC" (not necessarily HPE/Cray/Suse).
  • Recipe aka HFP's "best" (minus obscure bits); effectively: GNU Fortran + Intel MPI + Intel MKL + LIBXSMM.
  • Non-reproducible (as every image) because of pulling bits from the Internet (dependencies).
  • Of interest: LIBINT/latest/2.9.0 bootstrap for CP2K.

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docker: intel oneapi and gnu based build
ee1f78d 
* Docker image based on "rockylinux" (RPM distro) to supply something "HPC" (not necessarily HPE/Cray/Suse).
* Recipe aka HFP's "best" (minus obscure bits); effectively: GNU Fortran + Intel MPI + Intel MKL + LIBXSMM.
* Non-reproducible (as every image) because of pulling bits from the Internet (dependencies).
* Of interest: LIBINT/latest/2.9.0 bootstrap for CP2K.
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hfp commented Jun 4, 2024

Follow-up on cp2k/cp2k#3443

@hfp hfp marked this pull request as draft June 4, 2024 19:50
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