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Update dscribe to 2.0 #60

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merged 4 commits into from
Oct 24, 2023
Merged

Update dscribe to 2.0 #60

merged 4 commits into from
Oct 24, 2023

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juraskov
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To add compatibility for numpy 1.24.3 required by the Cirrus facility, I updated dscribe (needed for SOAP descriptor) to version 2.0

@juraskov juraskov requested a review from Hanwen1018 October 23, 2023 00:00
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@danielhollas danielhollas left a comment

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pair coded together, according to dscribe changelog https://singroup.github.io/dscribe/latest/changelog.html 💪

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Still needs to relax the numpy requirement in requirements.txt

@Hanwen1018
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do we need to change the version requirement of numpy?

@juraskov juraskov merged commit a19193d into duartegroup:main Oct 24, 2023
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@juraskov juraskov deleted the update_dscribe branch October 24, 2023 10:20
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3 participants