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conda-forge / openmm-feedstock

A conda-smithy repository for openmm.
BSD 3-Clause "New" or "Revised" License
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Builds for linux-ppc64le architecture #141

Open JMorado opened 2 months ago

JMorado commented 2 months ago

Comment:

Hello,

When trying to install openmm on a fresh Conda environment on a PowerPC HPC system (linux-ppc64le platform), the version that gets installed is conda-forge/linux-ppc64le::openmm-7.6.0-py39h1b06f70_0. The output of conda search -f openmm is:

# Name                       Version           Build  Channel
openmm                         7.5.1  py36h475fd53_1  conda-forge
openmm                         7.5.1  py37h9c75091_1  conda-forge
openmm                         7.5.1  py37hc57c96b_1  conda-forge
openmm                         7.5.1  py38ha5b9540_1  conda-forge
openmm                         7.5.1  py39h1b06f70_1  conda-forge
openmm                         7.6.0  py36h9cf5b2f_0  conda-forge
openmm                         7.6.0  py37h4817dd9_0  conda-forge
openmm                         7.6.0  py37h9c75091_0  conda-forge
openmm                         7.6.0  py38h735b836_0  conda-forge
openmm                         7.6.0  py39h1b06f70_0  conda-forge

It appears that the most recent build for this architecture is version 7.6.0 for Python 3.6–3.9. Are there any plans to continue supporting linux-ppc64le architectures? If so, would it be possible to build recent versions of OpenMM for Python 3.9+?

Many thanks in advance.

peastman commented 2 months ago

I don't know why it stopped building. It wasn't intentional.

We specify

https://github.com/conda-forge/openmm-feedstock/blob/aa244bf481b7952c7f96d63123565520225b294b/conda-forge.yml#L15-L17

which according to this documentation should be enough. On the other hand, different documentation suggests using travis, which supposedly supports native PPC builds. And then again, looking for other packages that build for PPC I found this recipe which puts linux_ppc64le: linux_64 in the build_platform section and doesn't have a provider section. I'm not sure what's going on or what's the right way of doing it.