diff --git a/src/aiida_epw/workflows/prep.py b/src/aiida_epw/workflows/prep.py index 6bf5c77..7f298f1 100644 --- a/src/aiida_epw/workflows/prep.py +++ b/src/aiida_epw/workflows/prep.py @@ -5,7 +5,7 @@ from aiida import orm from aiida.common import AttributeDict -from aiida.engine import WorkChain, ToContext, if_ +from aiida.engine import WorkChain, if_ from aiida_quantumespresso.workflows.ph.base import PhBaseWorkChain from aiida_quantumespresso.workflows.protocols.utils import ProtocolMixin @@ -327,7 +327,7 @@ def run_wannier90(self): workchain_node = self.submit(w90_class, **inputs) self.report(f"launching {w90_class.get_name()}<{workchain_node.pk}>") - return ToContext(workchain_w90_bands=workchain_node) + return {'workchain_w90_bands': workchain_node} def inspect_wannier90(self): """Verify that the wannier90 workflow finished successfully.""" @@ -360,7 +360,7 @@ def run_ph(self): workchain_node = self.submit(PhBaseWorkChain, **inputs) self.report(f"launching PhBaseWorkChain<{workchain_node.pk}>") - return ToContext(workchain_ph=workchain_node) + return {'workchain_ph': workchain_node} def inspect_ph(self): """Verify that the `PhBaseWorkChain` finished successfully.""" @@ -412,7 +412,7 @@ def run_epw(self): f"launching EpwBaseWorkChain<{workchain_node.pk}> in transformation mode" ) - return ToContext(workchain_epw=workchain_node) + return {'workchain_epw': workchain_node} def inspect_epw(self): """Verify that the `EpwBaseWorkChain` finished successfully.""" diff --git a/src/aiida_epw/workflows/supercon.py b/src/aiida_epw/workflows/supercon.py index d954808..f3a1bb7 100644 --- a/src/aiida_epw/workflows/supercon.py +++ b/src/aiida_epw/workflows/supercon.py @@ -4,7 +4,7 @@ from aiida import orm from aiida.common import AttributeDict -from aiida.engine import WorkChain, ToContext, while_, if_, append_ +from aiida.engine import WorkChain, while_, if_, append_ from aiida_quantumespresso.workflows.protocols.utils import ProtocolMixin @@ -333,7 +333,7 @@ def run_conv(self): f"launching EpwBaseWorkChain<{workchain_node.pk}> in a2f mode: convergence #{self.ctx.iteration}" ) - return ToContext(epw_interp=append_(workchain_node)) + return {'epw_interp': append_(workchain_node)} def inspect_conv(self): """Verify that the EpwBaseWorkChain in interpolation mode finished successfully.""" @@ -389,7 +389,7 @@ def run_final_epw_iso(self): f"launching EpwBaseWorkChain<{workchain_node.pk}> in isotropic mode" ) - return ToContext(final_epw_iso=workchain_node) + return {'final_epw_iso': workchain_node} def inspect_final_epw_iso(self): """Verify that the final EpwBaseWorkChain in isotropic mode finished successfully.""" @@ -418,7 +418,7 @@ def run_final_epw_aniso(self): f"launching EpwBaseWorkChain<{workchain_node.pk}> in anisotropic mode" ) - return ToContext(final_epw_aniso=workchain_node) + return {'final_epw_aniso': workchain_node} def inspect_final_epw_aniso(self): """Verify that the final EpwBaseWorkChain in anisotropic mode finished successfully."""