Fix compatibility

Author: zhubonan

src/aiida_common_workflows/workflows/relax/vasp/generator.py

@@ -88,7 +88,7 @@ def _construct_builder(self, **kwargs) -> engine.ProcessBuilder:  # noqa: PLR091
         builder.structure = structure
 
         # Set options
-        builder.vasp.calc.options = engines['relax']['options']
+        builder.vasp.calc.metadata.options = engines['relax']['options']
 
         # Set workchain related inputs, in this case, give more explicit output to report
         builder.verbose = True
@@ -154,7 +154,7 @@ def _construct_builder(self, **kwargs) -> engine.ProcessBuilder:  # noqa: PLR091
 
         # Set the parameters on the builder, put it in the code namespace to pass through
         # to the code inputs
-        builder.vasp.parameters = parameters_dict
+        builder.vasp.parameters = {'incar': parameters_dict}
 
         # Set potentials and their mapping
         builder.vasp.potential_family = protocol['potential_family']

src/aiida_common_workflows/workflows/relax/vasp/workchain.py

@@ -1,4 +1,5 @@
 """Implementation of `aiida_common_workflows.common.relax.workchain.CommonRelaxWorkChain` for VASP."""
+import numpy as np
 from aiida import orm
 from aiida.common.exceptions import NotExistentAttributeError
 from aiida.engine import calcfunction
@@ -14,7 +15,7 @@
 def get_stress(misc):
     """Return the final stress array."""
     stress_data = orm.ArrayData()
-    stress_kbar = misc['stress']
+    stress_kbar = np.array(misc['stress'])
     stress_ev_per_angstr3 = stress_kbar / 1602.1766208
     stress_data.set_array(name='stress', array=stress_ev_per_angstr3)
 
@@ -25,7 +26,7 @@ def get_stress(misc):
 def get_forces(misc):
     """Return the final forces array.."""
     forces_data = orm.ArrayData()
-    forces_data.set_array(name='forces', array=misc['forces'])
+    forces_data.set_array(name='forces', array=np.array(misc['forces']))
 
     return forces_data
 
@@ -42,7 +43,7 @@ def get_total_free_energy(misc):
 @calcfunction
 def get_total_cell_magnetic_moment(misc):
     """Return the total cell magnetic moment."""
-    magnetization = misc.get_dict()['magnetization']
+    magnetization = misc.get('magnetization')
 
     if not magnetization:
         # If list is empty, we have no magnetization
@@ -63,7 +64,7 @@ class VaspCommonRelaxWorkChain(CommonRelaxWorkChain):
     def convert_outputs(self):
         """Convert the outputs of the sub workchain to the common output specification."""
         try:
-            self.out('relaxed_structure', self.ctx.workchain.outputs.relax__structure)
+            self.out('relaxed_structure', self.ctx.workchain.outputs.relax.structure)
         except NotExistentAttributeError:
             # We have no control of when we want to perform relaxations here,
             # this is up to the calling workchains, so do not set the relaxed structure if a