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conda-forge / plumed-feedstock

A conda-smithy repository for plumed.
BSD 3-Clause "New" or "Revised" License
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Support of the IBM Power9 (ppc64le) architecture #22

Closed raimis closed 3 years ago

raimis commented 3 years ago

Is any plan to support the IBM Power9 (ppc64le) architecture? It was reported that the code compiles and pass the majority of the tests: https://github.com/plumed/plumed2/issues/569

OpenMM has just been ported to ppc64le (https://github.com/conda-forge/openmm-feedstock/pull/55), so it would be good to have PLUMED too.

awvwgk commented 3 years ago

Currently waiting for https://github.com/conda-forge/vim-feedstock/pull/1224 to get merged, since vim is a build requirement.

See: https://conda-forge.org/status/#aarch64andppc64leaddition

GiovanniBussi commented 3 years ago

@raimis @awvwgk I actually made a change on plumed master branch so that vim won't be anymore a build requirement. It will be included in plumed v2.8.

It's actually a single commit that could be backported. If there's any volunteer to create a patch for the conda build (I don't know how to do it), so that this commit is applied on v2.7 before building it, I would be happy to merge it in the feedstock. Otherwise I would wait for vim to get merged.

awvwgk commented 3 years ago

You can just add the patch to the recipe directory (https://github.com/plumed/plumed2/commit/e84a4aee8a997952866303b080d5f50058645593.patch as new file) and apply it to the downloaded source in the recipe/meta.yaml with:

source:
  url: https://github.com/plumed/plumed2/archive/v{{ version }}.tar.gz
  sha256: cb8b5735d8dd61980fa6441f3dde3f33544240ae4177da0f529fb5abb355cd4a
  patches:
    - remove-xxd-dep.patch

It is also quite straight-forward to add the architectures yourself in conda-forge.yml and rerender the feedstock without waiting for the bot to apply the migrator.

provider:
  linux_aarch64: default    
  linux_ppc64le: default
raimis commented 3 years ago

@GiovanniBussi @awvwgk thank you for such a quick solution!

GiovanniBussi commented 3 years ago

@raimis could you please confirm that the executable is working correctly? Thanks

raimis commented 3 years ago

I tried to install and check some CLI. So far so good. I'll be able to check it more rigorously when the OpenMM-PLUMED is working (https://github.com/conda-forge/openmm-plumed-feedstock/issues/10).