PwBaseWorkChain: do no assume output_band exists in band sanity check

aiida_quantumespresso/workflows/pw/base.py

@@ -255,7 +255,7 @@ def run_init(self):
  inputs = prepare_process_inputs(PwCalculation, inputs)
  running = self.submit(PwCalculation, **inputs)
 
- self.report('launching initialization {}<{}>'.format(running.pk, self._process_class.__name__))
+ self.report('launching initialization {}<{}>'.format(running.pk, self.ctx.process_name))
 
  return ToContext(calculation_init=running)
 
@@ -336,9 +336,15 @@ def sanity_check_insufficient_bands(self, calculation):
 
  try:
  bands = calculation.outputs.output_band
+ except AttributeError:
+ args = [self.ctx.process_name, calculation.pk]
+ self.report('{}<{}> does not have `output_band` output, skipping sanity check.'.format(*args))
+ return
+
+ try:
  get_highest_occupied_band(bands)
  except ValueError as exception:
- args = [self._process_class.__name__, calculation.pk]
+ args = [self.ctx.process_name, calculation.pk]
  self.report('{}<{}> run with smearing and highest band is occupied'.format(*args))
  self.report('BandsData<{}> has invalid occupations: {}'.format(bands.pk, exception))
  self.report('{}<{}> had insufficient bands'.format(calculation.process_label, calculation.pk))

tests/workflows/pw/test_base.py

@@ -6,7 +6,8 @@
 from plumpy import ProcessState
 
 from aiida.common import AttributeDict
-from aiida.engine import ProcessHandlerReport
+from aiida.engine import ExitCode, ProcessHandlerReport
+from aiida.orm import Dict
 
 from aiida_quantumespresso.calculations.pw import PwCalculation
 from aiida_quantumespresso.workflows.pw.base import PwBaseWorkChain
@@ -23,7 +24,7 @@ def _generate_workchain_pw(exit_code=None):
  process = generate_workchain(entry_point, {'pw': inputs, 'kpoints': kpoints})
 
  if exit_code is not None:
- node = generate_calc_job_node()
+ node = generate_calc_job_node(inputs={'parameters': Dict()})
  node.set_process_state(ProcessState.FINISHED)
  node.set_exit_status(exit_code.status)
 
@@ -133,3 +134,12 @@ def test_handle_relax_recoverable_ionic_convergence_error(
 
  result = process.inspect_process()
  assert result.status == 0
+
+
+def test_sanity_check_no_bands(aiida_profile, generate_workchain_pw):
+ """Test that `sanity_check_insufficient_bands` does not except if there is no `output_band`, which is optional."""
+ process = generate_workchain_pw(exit_code=ExitCode(0))
+ process.setup()
+
+ calculation = process.ctx.children[-1]
+ assert process.sanity_check_insufficient_bands(calculation) is None