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aiidaplugins / aiida-crystal17

A plugin for AiiDA, to run the CRYSTAL17 code
https://aiida-crystal17.readthedocs.io
GNU Lesser General Public License v3.0
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Commit in aiida-core>1.0.0b breaks `CryPropertiesWorkChain.define` #28

Open chrisjsewell opened 4 years ago

chrisjsewell commented 4 years ago

aiidateam/aiida-core@9ebb8cc17e2871e196598ef5ee2d6db820a156d8 introduces a validator for the whole CalcJob namespace, which cross validates against inputs['code'], inputs['metadada.computer'] and inputs['metadada.resources'].

This change breaks the current tests for CryPropertiesWorkChain, within which optional calculation inputs are exposed: https://github.com/chrisjsewell/aiida-crystal17/blob/1eab9635e81a29956b0113bc91e13d5a4ee4269d/aiida_crystal17/workflows/crystal_props/base.py#L123

This issue is discussed in aiidateam/aiida-core#3449, aiidateam/aiida-core#3431, aiidateam/aiida-quantumespresso#418