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Updating LRE script to allow for overlaps to be specified per task #37

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merged 3 commits into from
Dec 4, 2024

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max-radin
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Fixes #34.

@jp7745
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jp7745 commented Dec 3, 2024

three issues:

  1. Setting up a clean VENV for this, I started by only installing pyLIQTR==1.2.1, running python 3.10. Then also going to the top level working directory and pip install -e .. This brings in the qre.py script. The qre.py script tries to from openfermion.resource_estimates.molecule import cas_to_pyscf. First, cas_to_pyscf is not referenced or used. When the LRE script is called, this throws and error and be removed from qre.py... unless it's necessary.

  2. in the LRE script, the from datetime import UTC fails. This import can be removed and just replace UTC later in the usage with datetime.timezone.utc or alternative fix.

  3. In the solution.uuid.json files produced, the run_time object is missing the overall_time property per the schema. This field may be mislabled as seconds.

@max-radin max-radin mentioned this pull request Dec 3, 2024
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max-radin commented Dec 3, 2024

Thanks for catching those issues @jp7745. I made a separate PR to address them (#41) since they aren't related to the changes in this PR.

@jp7745 jp7745 merged commit 92361ae into main Dec 4, 2024
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@jp7745 jp7745 deleted the max-radin/overlaps branch December 4, 2024 13:55
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Update QRE script and config to use computed overlaps
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