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lab-cosmo / chemiscope

An interactive structure/property explorer for materials and molecules
http://chemiscope.org
BSD 3-Clause "New" or "Revised" License
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The new ASE release breaks all examples #339

Closed ceriottm closed 3 weeks ago

ceriottm commented 1 month ago

ase 3.23 changed the behavior when reading files with energies and forces, thereby breaking all our examples. #338 is a quick-fix but unless they decide to revert some of these changes we will have to do more substantial changes to the examples, or drop ase as a dependency and switch to another library for structure I/O.

ceriottm commented 3 weeks ago

This is fixed for the moment by pinning ASE to the previous version. Hopefully this will get solved otherwise we may re-open in the future.