• Bug#1102731: nwchem-mpich and nwchem-openmpi have an undeclared file co

    From Helmut Grohne@21:1/5 to Drew Parsons on Mon Apr 28 10:00:01 2025
    Control: tags -1 - moreinfo

    On Sat, Apr 12, 2025 at 06:28:55PM +0200, Drew Parsons wrote:
    Hi Helmut, can you give more information on where you find the file
    conflict?

    Please Cc bug submitters if you want them to reply. I noticed your mail
    by chance.

    I think you answered your own question.

    /usr/bin/nwchem is a symlink to the build for the default MPI for the
    given architecture.

    On 64-bit systems openmpi is default, so /usr/bin/nwchem is provided
    by the nwchem-openmpi package and not provided by the nwchem-mpich
    package.

    Have you found a case where nwchem-mpich also provides /usr/bin/nwchem ? (apart from the 32-bit arches, for which nwchem-openmpi should not be providing /usr/bin/nwchem)

    What you are describing here is a cross-architecture file conflict.
    Attempting to unpack nwchem-openmpi:64bit and nwchem-mpich:32bit is not
    prevent by packaging metadata and causes the described unpack error.

    /usr/bin/nwchem is not actually provided by both nwchem-openmpi and nwchem-mpich on a normal installation, so downgrading severity.

    They are, as soon as you enable multiarch.

    I agree that my report template is lacking in this regard as it did not
    clearly spell out the need to combine different architectures. It is
    rare for a conflict to be specific to particular architecture
    combinations. I shall look into improving future reports.

    Helmut

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