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Comments (5)

rbberger avatar rbberger commented on May 28, 2024

Fixed in lammps@20240207 but I'll add a workaround for the stable versions.

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rbberger avatar rbberger commented on May 28, 2024

@jordialcaraz please try #43538

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jordialcaraz avatar jordialcaraz commented on May 28, 2024

Hi @rbberger , the merge appears blocked and spack has not been updated with your change.

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rbberger avatar rbberger commented on May 28, 2024

the CI error seems unrelated. you can always test a PR in isolation by pulling it directly. E.g. via https://docs.github.com/en/pull-requests/collaborating-with-pull-requests/reviewing-changes-in-pull-requests/checking-out-pull-requests-locally

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jordialcaraz avatar jordialcaraz commented on May 28, 2024

Hi @rbberger

I forgot to comment that your change worked.

Also, when installing lammps with -mpi +h5md, there is an error saying:

Serial LAMMPS build and parallel HDF5 library are not compatible.

As hdf5 builds with mpi by default, maybe it could be fixed with (the spack spec looks correct with both +mpi and -mpi):

conflicts(
    "+h5md ~mpi",
    when="^hdf5+mpi",
    msg="With +h5md, mpi setting for hdf5 and lammps must be the same",
)

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