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AtomsBase v0.4 support #176

Merged
merged 1 commit into from
Sep 11, 2024
Merged

AtomsBase v0.4 support #176

merged 1 commit into from
Sep 11, 2024

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tjjarvinen
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This adds support for AtomsBase v0.4 and drops from v0.3.

The only support is only to convert to JuLIP.Atoms structure from AtomsBase AbstractSystem and vise versa to FlexibleSystem.

The main reason for this to update ACEmd to AtomsBase v0.4. That may help up getting ACEpotentials transitioned to a new version nicely. Also, it helps me to find out some possible bugs in elsewhere in the ecosystem.

@cortner
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cortner commented Sep 11, 2024

curious about the failing tests on macos

@cortner
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cortner commented Sep 11, 2024

but looks fine. happy to merge if you say it is ready.

@tjjarvinen
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It is ready for merge.

Those macOS test fails seem to be python related and can probably solved by restring versions somehow. So, I would not worry about them.

@cortner cortner merged commit 92cc32c into JuliaMolSim:master Sep 11, 2024
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2 participants