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casm update not adding properties for non-default calctype

Open jonaskaufman opened this issue 1 year ago • 3 comments

When a new calctype is created, it has no "required_properties", such that running casm update will not actually insert calculated data into the config_props.json database like it does for the default calctype. Manually adding an entry for the non-default calctype to "required_properties" in .casm/project_settings.json seems to fix this, but presumably this should be done automatically as part of calctype creation.

jonaskaufman avatar Oct 31 '23 18:10 jonaskaufman

Hi Jonas, I thought I fixed this here: https://github.com/prisms-center/CASMcode/commit/e9d1788089f680884bc5e28ec859c6822473a2a3 Is the conda version not updated?

seshasaibehara avatar Nov 02 '23 16:11 seshasaibehara

Ah I see. I just confirmed that building 1.X from source does indeed fix this problem. I was using version 1.2.0 with conda (following the instructions here: https://prisms-center.github.io/CASMcode_docs/pages/installation/#install-using-conda). Is there an updated version available via conda?

jonaskaufman avatar Nov 02 '23 17:11 jonaskaufman

I'll try to update the conda package. It's a bit tedious to do, so it may take a while.

bpuchala avatar Nov 02 '23 21:11 bpuchala