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materialsproject / emmet

Be a master builder of databases of material properties. Avoid the Kragle.
https://materialsproject.github.io/emmet/
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[conda package] missing dependence on `custodian` #890

Closed mbruns91 closed 6 months ago

mbruns91 commented 9 months ago

Our package pyiron_atomistics depends indirectly on emmet-core via mp-api. When emmet-core is installed from conda-forge, there seems to be a missing dependency of emmet-core on custodian, what causes our CI runs to fail with error messages like from custodian.vasp.jobs import VaspJob; ModuleNotFoundError: No module named 'custodian'.

As you can see from this PR, this can be fixed by adding custodian to setup.py and/or environment.yml. However, it may be a cleaner solution if you may add custodian to emmet-core's dependencies in the relevant places.

I already opened a PR for this on emmet-core-feedstock.

munrojm commented 9 months ago

This should be fixed as of the latest version of emmet-core.

Andrew-S-Rosen commented 6 months ago

@munrojm looks like this can be closed?