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Nexus: Use simplices in convex_hull#4671

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prckent merged 3 commits intoQMCPACK:developfrom
prckent:fix_conv_hull
Jul 13, 2023
Merged

Nexus: Use simplices in convex_hull#4671
prckent merged 3 commits intoQMCPACK:developfrom
prckent:fix_conv_hull

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@prckent prckent commented Jul 12, 2023

Proposed changes

Closes #4670

This looks to be a trivial fix ; vertices was removed in scipy 1.11.0 https://docs.scipy.org/doc/scipy/release/1.11.0-notes.html#expired-deprecations . However I did not yet find the version when simplices was introduced - is it old enough?

What type(s) of changes does this code introduce?

  • Bugfix

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

sulfur, nightly config

Checklist

  • Yes. This PR is up to date with current the current state of 'develop'

@prckent prckent changed the title Use simplices in convex_hull Nexus: Use simplices in convex_hull Jul 12, 2023
@prckent prckent added the nexus label Jul 12, 2023
@prckent prckent assigned jtkrogel and unassigned jtkrogel Jul 12, 2023
@prckent prckent requested a review from jtkrogel July 12, 2023 15:09
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prckent commented Jul 12, 2023

Test this please

Comment thread nexus/lib/numerics.py Outdated
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prckent commented Jul 12, 2023

Test this please

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prckent commented Jul 12, 2023

Test this please

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mdewing commented Jul 12, 2023

It looks like "simplices" was added in scipy 0.12 (released in 2013)

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mdewing commented Jul 13, 2023

test this please

@prckent prckent dismissed jtkrogel’s stale review July 13, 2023 21:13

This was fully addressed. DIsmissing so that this can be merged without bothering anyone again.

@prckent prckent merged commit e55fff6 into QMCPACK:develop Jul 13, 2023
@prckent prckent deleted the fix_conv_hull branch July 13, 2023 21:13
@prckent prckent mentioned this pull request Aug 18, 2023
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Nexus delaunay vertices failures due to scipy deprecations

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