The changes introduced in #331 are leading to wrong inputs for cp2k.
In the cp2k protocols (src/aiida_common_workflows/workflows/relax/cp2k/protocol.yml) there are several ON, OFF.
In the previous formatting 'ON' and 'OFF' were with quotes and the plugin was working correctly.
In the new formatting, the quotes are removed and apparently ON and OFF without quotes are interpreted by the reader and transformed in True and False.
This leads to cp2k calculation inputs with True and False instead of ON and OFF. The program does not recognize the values and crashes.
To reproduce it, just acwf launch relax cp2k making sure to be in the main branch. Of course you need a configured code pointing to a cp2k executable.
Inspecting the aiida.inp of the generated calculation, you can see the True and False instead of the ON and OFF.
@sphuber and @yakutovicha are probably the right people to find a solution.
The changes introduced in #331 are leading to wrong inputs for cp2k. In the cp2k protocols (src/aiida_common_workflows/workflows/relax/cp2k/protocol.yml) there are several ON, OFF. In the previous formatting 'ON' and 'OFF' were with quotes and the plugin was working correctly. In the new formatting, the quotes are removed and apparently ON and OFF without quotes are interpreted by the reader and transformed in True and False. This leads to cp2k calculation inputs with True and False instead of ON and OFF. The program does not recognize the values and crashes.
To reproduce it, just
acwf launch relax cp2kmaking sure to be in themainbranch. Of course you need a configured code pointing to a cp2k executable. Inspecting theaiida.inpof the generated calculation, you can see the True and False instead of the ON and OFF.@sphuber and @yakutovicha are probably the right people to find a solution.