def main(): DifferenceCalculation = CalculationFactory('wait.wait') builder = DifferenceCalculation.get_builder() builder.code = Code.get_from_string('wait') builder.options = {'resources': {'num_machines': 1}, 'withmpi': False} node = submit(builder) print(node.pk)
def inner(calculation_string, code_string, single_core=True): from aiida.orm import CalculationFactory process = CalculationFactory(calculation_string).process() builder = process.get_builder() inputs_setup( builder, code_string=code_string, single_core=single_core ) return builder