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API changes for the 2.0 release. #162

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yakutovicha opened this issue Jun 20, 2022 · 0 comments

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yakutovicha commented Jun 20, 2022 •

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Here is the list of potentially breaking changes for the 2.0 release:

setup.json - rename pre-commit extra to more general dev extra. (done in Modernise python package management: #166)
Get rid of the deprecated resubmit_unconverged_geometry handler from the Cp2kBaseWorkChain. #175
~~Cp2kBaseWorkChain expose Cp2kCalculation inputs directly. Not under the cp2k namespace as it is done currently.~~

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