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Feature/parmoo - #58

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wildsm merged 13 commits into
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feature/parmoo
May 30, 2023
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wildsm merged 13 commits into
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feature/parmoo

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@wildsm wildsm commented May 2, 2023

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This PR for the inclusion of ParMOO in the BAND.

Note that rather than being included as a submodule or have the source code in bandframework, the approach taken was to instead include sufficient documentation for the quick installation of ParMOO as well as how to obtain an example problem of ParMOO being run for a multi-objective calibration of (surrogate of) the Fayans energy density functional.

We are asking for reviewers to:

  • follow the instructions in the README and confirm they are clear and complete
  • examine the SDK compatibility document for correctness and completeness

Thank you!

wildsm and others added 7 commits April 27, 2023 09:27
Initial draft of sdk
Work in progress
Fixed several bugs causing images and code blocks not to render.

Added a few additional details to help new users get started.
Added reference for the example problem and linked files.
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wildsm changed the base branch from main to develop May 2, 2023 17:50
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wildsm requested review from asemposki, mosesyhc and odell May 2, 2023 17:51
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wildsm commented May 2, 2023

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Atting @thchang for awareness

@asemposki asemposki left a comment

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Finished reviewing so far. Had one part of the README.md commands that might need to be changed, and one error importing the dash module which I do not appear to have. Should that be installed with parmoo in the requirements file?

Comment thread software/parmoo/README.md Outdated
Comment thread software/parmoo/README.md
Comment thread software/parmoo/README.md Outdated
Comment thread software/parmoo/parmoo-bandsdk.md

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Reviewed parmoo in BAND.

I have observed similar behavior about installation and package dependencies as @asemposki, added my observations in the comments, and suggested certain changes. See comments in README.md.

I included a comment for a minor typo.

I verified the BAND SDK compliance, except for one. See comment under BAND SDK Mandatory Policy No.2.

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- Add kaleido and dash to REQUIREMENTS.txt.

  • Change command in README.md (bandframework) to:
    git clone https://github.com/parmoo/parmoo-solver-farm

Comment thread software/parmoo/README.md Outdated
@wildsm

wildsm commented May 11, 2023

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Thanks @odell @mosesyhc @asemposki !
This has been updated by @thchang using PR 59.

In addition to clarifying the README, the corresponding REQUIREMENTS.txt file in the parmoo-solver-farm/fayans-model-calibration-2022 repository has been updated to better pull in dependencies.

@wildsm
wildsm requested review from asemposki, mosesyhc and odell May 11, 2023 16:14
Comment thread software/parmoo/README.md Outdated

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Made a note here about the difference in the plot I get vs the plot I'm expected to see. Not sure if they have to be the exact same. No code errors came up while running, and the REQUIREMENTS.txt file now contains all of the packages that I did not have previously installed, so everything looks good otherwise.

If it is OK to have the plots not be the exact same result, then consider this approval of the inclusion of parmoo in BAND.

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The updates have fixed the previous issues.

@wildsm
wildsm merged commit 0960575 into develop May 30, 2023
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wildsm deleted the feature/parmoo branch May 30, 2023 23:51
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wildsm commented May 30, 2023

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Thanks all

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5 participants