casm-calc --setup no longer work for Quantum Espresso?

[wuziqi-cmu]

Hi there, I was recently learning how to use CASM with QE as the calculator. I followed the help message from casm status -n, and set up 'relax.json', 'SPECIES', and 'filename.in' files under the required directory. However, as I run casm-calc --setup, I got an error message saying the calc.json file is missing, which was not required for QE (or does it? if it does, where is the doc on calc.json file format? didn't find it anywhere). I then tried adding a calc.json file to the directory and changed the 'software' to 'quantumespresso', I got a KeyError. Then I looked into the code and found that VASP is the only supported calculator. as shown below (line 52-56, casm_calc.py):

available_calculators = {
    "vasp": {
        "relax": vaspwrapper.Relax
    }
}

From issue #186, it seems that this was once supported. Also is there any doc/tutorial on how to use QE as the calculator? For example, how to tell CASM I want to use QE instead of VASP? and how to tell CASM where is the pw.x executable?

[pandeydhanshree]

Hello I am also having the same issue and need to use use CASM with QE as the calculator. Could you find out the solution ? If yes, could you provide the possible solution? Thank you in advance.