[WIP] Fix remote error of the benchmark part

src/autoplex/auto/phonons/flows.py

@@ -5,12 +5,15 @@
 from dataclasses import dataclass, field
 
 from atomate2.common.schemas.phonons import PhononBSDOSDoc
+from atomate2.vasp.flows.core import DoubleRelaxMaker
 from atomate2.vasp.flows.mp import (
     MPGGADoubleRelaxMaker,
     MPGGARelaxMaker,
     MPGGAStaticMaker,
 )
 from atomate2.vasp.jobs.base import BaseVaspMaker
+from atomate2.vasp.jobs.core import TightRelaxMaker
+from atomate2.vasp.sets.core import TightRelaxSetGenerator
 from jobflow import Flow, Maker
 from pymatgen.core.structure import Structure
 from pymatgen.io.vasp.sets import (
@@ -178,9 +181,61 @@ class CompleteDFTvsMLBenchmarkWorkflow(Maker):
     add_dft_rattled_struct: bool = True
     add_rss_struct: bool = False
     displacement_maker: BaseVaspMaker = None
-    phonon_bulk_relax_maker: BaseVaspMaker = None
-    phonon_static_energy_maker: BaseVaspMaker = None
-    rattled_bulk_relax_maker: BaseVaspMaker = None
+    phonon_bulk_relax_maker: BaseVaspMaker | None = field(
+        default_factory=lambda: DoubleRelaxMaker.from_relax_maker(
+            TightRelaxMaker(
+                name="dft tight relax",
+                run_vasp_kwargs={"handlers": {}},
+                input_set_generator=TightRelaxSetGenerator(
+                    user_incar_settings={
+                        # TODO check if user_incar_settings has to be set like that or can be left out
+                        "ALGO": "Normal",
+                        "ISPIN": 1,
+                        "LAECHG": False,
+                        "ISMEAR": 0,
+                        "ENCUT": 700,
+                        "ISYM": 0,
+                        "SIGMA": 0.05,
+                        "LCHARG": False,  # Do not write the CHGCAR file
+                        "LWAVE": False,  # Do not write the WAVECAR file
+                        "LVTOT": False,  # Do not write LOCPOT file
+                        "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
+                        "LOPTICS": False,  # No PCDAT file
+                        "NSW": 200,
+                        "NELM": 500,
+                        # to be removed
+                        "NPAR": 4,
+                    }
+                ),
+            )
+        )
+    )
+    phonon_static_energy_maker: BaseVaspMaker | None = None
+
+    rattled_bulk_relax_maker: BaseVaspMaker | None = field(
+        default_factory=lambda: TightRelaxMaker(
+            run_vasp_kwargs={"handlers": {}},
+            input_set_generator=TightRelaxSetGenerator(
+                user_incar_settings={
+                    "ALGO": "Normal",
+                    "ISPIN": 1,
+                    "LAECHG": False,
+                    "ISYM": 0,  # to be changed
+                    "ISMEAR": 0,
+                    "SIGMA": 0.05,  # to be changed back
+                    "LCHARG": False,  # Do not write the CHGCAR file
+                    "LWAVE": False,  # Do not write the WAVECAR file
+                    "LVTOT": False,  # Do not write LOCPOT file
+                    "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
+                    "LOPTICS": False,  # No PCDAT file
+                    "NSW": 200,
+                    "NELM": 500,
+                    # to be removed
+                    "NPAR": 4,
+                }
+            ),
+        )
+    )
     isolated_atom_maker: IsoAtomStaticMaker | None = None
     n_structures: int = 10
     displacements: list[float] = field(default_factory=lambda: [0.01])
@@ -909,28 +964,7 @@ class CompleteDFTvsMLBenchmarkWorkflowMPSettings(CompleteDFTvsMLBenchmarkWorkflo
         )
     )
 
-    phonon_static_energy_maker: BaseVaspMaker = field(
-        default_factory=lambda: MPGGAStaticMaker(
-            run_vasp_kwargs={"handlers": ()},
-            name="dft phonon static",
-            input_set_generator=MPStaticSet(
-                force_gamma=True,
-                auto_metal_kpoints=True,
-                inherit_incar=False,
-                user_incar_settings={
-                    "NPAR": 4,
-                    "EDIFF": 1e-7,
-                    "EDIFFG": 1e-6,
-                    "ALGO": "NORMAL",
-                    "ISPIN": 1,
-                    "LREAL": False,
-                    "LCHARG": False,
-                    "ISMEAR": 0,
-                    "KSPACING": 0.2,
-                },
-            ),
-        )
-    )
+    phonon_static_energy_maker: BaseVaspMaker = None
 
 
 @dataclass

src/autoplex/auto/phonons/jobs.py

@@ -6,10 +6,7 @@
 
 import numpy as np
 from atomate2.common.schemas.phonons import ForceConstants, PhononBSDOSDoc
-from atomate2.vasp.flows.core import DoubleRelaxMaker
 from atomate2.vasp.jobs.base import BaseVaspMaker
-from atomate2.vasp.jobs.core import StaticMaker, TightRelaxMaker
-from atomate2.vasp.sets.core import StaticSetGenerator, TightRelaxSetGenerator
 from jobflow import Flow, Response, job
 from pymatgen.core.structure import Structure
 from pymatgen.phonon.bandstructure import PhononBandStructure
@@ -539,65 +536,17 @@ def dft_phonopy_gen_data(
 
     if phonon_displacement_maker is None:
         phonon_displacement_maker = TightDFTStaticMaker(name="dft phonon static")
-    if phonon_bulk_relax_maker is None:
-        phonon_bulk_relax_maker = DoubleRelaxMaker.from_relax_maker(
-            TightRelaxMaker(
-                name="dft tight relax",
-                run_vasp_kwargs={"handlers": {}},
-                input_set_generator=TightRelaxSetGenerator(
-                    user_incar_settings={
-                        "ALGO": "Normal",
-                        "ISPIN": 1,
-                        "LAECHG": False,
-                        "ISMEAR": 0,
-                        "ENCUT": 700,
-                        "ISYM": 0,
-                        "SIGMA": 0.05,
-                        "LCHARG": False,  # Do not write the CHGCAR file
-                        "LWAVE": False,  # Do not write the WAVECAR file
-                        "LVTOT": False,  # Do not write LOCPOT file
-                        "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
-                        "LOPTICS": False,  # No PCDAT file
-                        "NSW": 200,
-                        "NELM": 500,
-                        # to be removed
-                        "NPAR": 4,
-                    }
-                ),
-            )
-        )
-
-    if phonon_static_energy_maker is None:
-        phonon_static_energy_maker = StaticMaker(
-            name="dft static",
-            input_set_generator=StaticSetGenerator(
-                auto_ispin=False,
-                user_incar_settings={
-                    "ALGO": "Normal",
-                    "ISPIN": 1,
-                    "LAECHG": False,
-                    "ISMEAR": 0,
-                    "ENCUT": 700,
-                    "SIGMA": 0.05,
-                    "LCHARG": False,  # Do not write the CHGCAR file
-                    "LWAVE": False,  # Do not write the WAVECAR file
-                    "LVTOT": False,  # Do not write LOCPOT file
-                    "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
-                    "LOPTICS": False,  # No PCDAT file
-                    # to be removed
-                    "NPAR": 4,
-                },
-            ),
-        )
 
     # always set autoplex default as job name
     phonon_displacement_maker.name = "dft phonon static"
-    phonon_static_energy_maker.name = "dft static"
-    try:
-        phonon_bulk_relax_maker.relax_maker1.name = "dft tight relax"
-        phonon_bulk_relax_maker.relax_maker2.name = "dft tight relax"
-    except AttributeError:
-        phonon_bulk_relax_maker.name = "dft tight relax"
+    if phonon_static_energy_maker is not None:
+        phonon_static_energy_maker.name = "dft static"
+    if phonon_bulk_relax_maker is not None:
+        try:
+            phonon_bulk_relax_maker.relax_maker1.name = "dft tight relax"
+            phonon_bulk_relax_maker.relax_maker2.name = "dft tight relax"
+        except AttributeError:
+            phonon_bulk_relax_maker.name = "dft tight relax"
 
     for displacement in displacements:
         dft_phonons = DFTPhononMaker(
@@ -706,33 +655,11 @@ def dft_random_gen_data(
 
     if displacement_maker is None:
         displacement_maker = TightDFTStaticMaker(name="dft rattle static")
-    if rattled_bulk_relax_maker is None:
-        rattled_bulk_relax_maker = TightRelaxMaker(
-            run_vasp_kwargs={"handlers": {}},
-            input_set_generator=TightRelaxSetGenerator(
-                user_incar_settings={
-                    "ALGO": "Normal",
-                    "ISPIN": 1,
-                    "LAECHG": False,
-                    "ISYM": 0,  # to be changed
-                    "ISMEAR": 0,
-                    "SIGMA": 0.05,  # to be changed back
-                    "LCHARG": False,  # Do not write the CHGCAR file
-                    "LWAVE": False,  # Do not write the WAVECAR file
-                    "LVTOT": False,  # Do not write LOCPOT file
-                    "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
-                    "LOPTICS": False,  # No PCDAT file
-                    "NSW": 200,
-                    "NELM": 500,
-                    # to be removed
-                    "NPAR": 4,
-                }
-            ),
-        )
 
     # always set autoplex default as job name
     displacement_maker.name = "dft rattle static"
-    rattled_bulk_relax_maker.name = "dft tight relax"
+    if rattled_bulk_relax_maker is not None:
+        rattled_bulk_relax_maker.name = "dft tight relax"
 
     # TODO: decide if we should remove the additional response here as well
     # looks like only the output is changing

src/autoplex/data/phonons/flows.py

@@ -223,28 +223,7 @@ class DFTPhononMaker(PhononMaker):
             )
         ),
     )
-    static_energy_maker: BaseVaspMaker | None = field(
-        default_factory=lambda: StaticMaker(
-            input_set_generator=StaticSetGenerator(
-                auto_ispin=False,
-                user_incar_settings={
-                    "ALGO": "Normal",
-                    "ISPIN": 1,
-                    "LAECHG": False,
-                    "ISMEAR": 0,
-                    "ENCUT": 700,
-                    "SIGMA": 0.05,
-                    "LCHARG": False,  # Do not write the CHGCAR file
-                    "LWAVE": False,  # Do not write the WAVECAR file
-                    "LVTOT": False,  # Do not write LOCPOT file
-                    "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
-                    "LOPTICS": False,  # No PCDAT file
-                    # to be removed
-                    "NPAR": 4,
-                },
-            )
-        )
-    )
+    static_energy_maker: BaseVaspMaker | None = None
 
     phonon_displacement_maker: BaseVaspMaker | None = field(
         default_factory=TightDFTStaticMaker
@@ -580,9 +559,7 @@ class MLPhononMaker(FFPhononMaker):
             force_field_name="GAP",
         )
     )
-    static_energy_maker: ForceFieldStaticMaker | None = field(
-        default_factory=lambda: ForceFieldStaticMaker(force_field_name="GAP")
-    )
+    static_energy_maker: ForceFieldStaticMaker | None = None
     store_force_constants: bool = False
     get_supercell_size_kwargs: dict = field(
         default_factory=lambda: {"max_atoms": 20000, "step_size": 0.1}
@@ -689,9 +666,7 @@ def make_from_ml_model(
                     name="nequip phonon static",
                     force_field_name="Nequip",
                 ),
-                static_energy_maker=ForceFieldStaticMaker(
-                    force_field_name="Nequip",
-                ),
+                static_energy_maker=None,
                 calculator_kwargs=calculator_kwargs,
                 relax_maker_kwargs=self.relax_maker_kwargs,
                 static_maker_kwargs=self.static_maker_kwargs,
@@ -711,9 +686,7 @@ def make_from_ml_model(
                     name="m3gnet phonon static",
                     force_field_name="M3GNet",
                 ),
-                static_energy_maker=ForceFieldStaticMaker(
-                    force_field_name="M3GNet",
-                ),
+                static_energy_maker=None,
                 calculator_kwargs=calculator_kwargs,
                 relax_maker_kwargs=self.relax_maker_kwargs,
                 static_maker_kwargs=self.static_maker_kwargs,
@@ -741,9 +714,7 @@ def make_from_ml_model(
                     name="mace phonon static",
                     force_field_name="MACE",
                 ),
-                static_energy_maker=ForceFieldStaticMaker(
-                    force_field_name="MACE",
-                ),
+                static_energy_maker=None,
                 calculator_kwargs=calculator_kwargs,
                 relax_maker_kwargs=self.relax_maker_kwargs,
                 static_maker_kwargs=self.static_maker_kwargs,

src/autoplex/data/phonons/utils.py

@@ -24,7 +24,7 @@ def ml_phonon_maker_preparation(
     static_maker_kwargs: dict | None,
     bulk_relax_maker: ForceFieldRelaxMaker,
     phonon_displacement_maker: ForceFieldStaticMaker,
-    static_energy_maker: ForceFieldStaticMaker,
+    static_energy_maker: ForceFieldStaticMaker | None,
 ) -> tuple[
     ForceFieldRelaxMaker | None,
     ForceFieldStaticMaker | None,

tests/auto/phonons/test_flows.py

@@ -18,7 +18,6 @@ def ref_paths():
         "dft tight relax_test": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 1_test": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_test": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_test": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
         "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/phonon_static_1/",
@@ -38,7 +37,6 @@ def ref_paths():
         "dft tight relax_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 1_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_mp-22905": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_mp-22905": "dft_ml_data_generation/static/",
         "dft phonon static 1/2_mp-22905": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2_mp-22905": "dft_ml_data_generation/phonon_static_2/",
         "dft rattle static 1/12_mp-22905": "dft_ml_data_generation/rand_static_1/",
@@ -53,7 +51,6 @@ def ref_paths():
         "dft rattle static 10/12_mp-22905": "dft_ml_data_generation/rand_static_10/",
         "dft rattle static 11/12_mp-22905": "dft_ml_data_generation/rand_static_11/",
         "dft rattle static 12/12_mp-22905": "dft_ml_data_generation/rand_static_12/",
-
     }
 
 
@@ -63,7 +60,6 @@ def ref_paths_mpid():
         "dft tight relax_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 1_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_mp-22905": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_mp-22905": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
         "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_mp-22905": "dft_ml_data_generation/phonon_static_1/",
@@ -260,7 +256,6 @@ def ref_paths4():
         "dft tight relax_test": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 1_test": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_test": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_test": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
         "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/phonon_static_1/",
@@ -280,7 +275,6 @@ def fake_run_vasp_kwargs5():
         "dft tight relax 2_test": {"incar_settings": ["NSW", "ISMEAR"]},
         "dft phonon static 1/2_test": {"incar_settings": ["NSW", "ISMEAR"]},
         "dft phonon static 2/2_test": {"incar_settings": ["NSW", "ISMEAR"]},
-
         "dft rattle static 1/4_test": {
             "incar_settings": ["NSW", "ISMEAR"],
             "check_inputs": ["incar", "potcar"],
@@ -308,7 +302,6 @@ def fake_run_vasp_kwargs4():
         "dft tight relax 2_test": {"incar_settings": ["NSW", "ISMEAR"]},
         "dft phonon static 1/2_test": {"incar_settings": ["NSW", "ISMEAR"]},
         "dft phonon static 2/2_test": {"incar_settings": ["NSW", "ISMEAR"]},
-
         "dft rattle static 1/4_test": {
             "incar_settings": ["NSW", "ISMEAR"],
             "check_inputs": ["incar", "potcar"],
@@ -347,21 +340,10 @@ def ref_paths4_mpid():
         "dft tight relax 1_test3": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_test2": "dft_ml_data_generation/tight_relax_2/",
         "dft tight relax 2_test3": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_test": "dft_ml_data_generation/static/",
-        "dft static_test_0": "dft_ml_data_generation/static/",
-        "dft static_test_1": "dft_ml_data_generation/static/",
-        "dft static_test2": "dft_ml_data_generation/static/",
-        "dft static_test2_0": "dft_ml_data_generation/static/",
-        "dft static_test2_1": "dft_ml_data_generation/static/",
-        "dft static_test3": "dft_ml_data_generation/static/",
-        "dft static_test3_0": "dft_ml_data_generation/static/",
-        "dft static_test3_1": "dft_ml_data_generation/static/",
         "dft tight relax 1_mp-22905": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 1_mp-22905_0": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2_mp-22905": "dft_ml_data_generation/tight_relax_2/",
         "dft tight relax 2_mp-22905_0": "dft_ml_data_generation/tight_relax_2/",
-        "dft static_mp-22905": "dft_ml_data_generation/static/",
-        "dft static_mp-22905_0": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
         "Cl-stat_iso_atom_0": "Cl_iso_atoms/Cl-statisoatom/",
         "Cl-stat_iso_atom_1": "Cl_iso_atoms/Cl-statisoatom/",
@@ -434,11 +416,6 @@ def ref_paths4_mpid_new():
         "dft tight relax 2_test3": "dft_ml_data_generation/strict_test/tight_relax_2_test/",
         "dft tight relax 1_mp-22905": "dft_ml_data_generation/strict_test/tight_relax_1_test/",
         "dft tight relax 2_mp-22905": "dft_ml_data_generation/strict_test/tight_relax_2_test/",
-        "dft static_test": "dft_ml_data_generation/static/",
-        "dft static_test2": "dft_ml_data_generation/static/",
-        "dft static_mp-22905": "dft_ml_data_generation/static/",
-        "dft static_test3": "dft_ml_data_generation/static/",
-        "dft static_test_mp-22905": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom": "Cl_iso_atoms/Cl-statisoatom/",
         "Li-stat_iso_atom": "Li_iso_atoms/Li-statisoatom/",
         "dft phonon static 1/2_test": "dft_ml_data_generation/strict_test/phonon_static_1/",
@@ -473,10 +450,6 @@ def ref_paths4_mpid_new2():
         "dft tight relax 2_test_1": "dft_ml_data_generation/strict_test/tight_relax_2_test/",
         "dft tight relax 2_test_2": "dft_ml_data_generation/strict_test/tight_relax_2_test/",
         "dft tight relax 2_test_3": "dft_ml_data_generation/strict_test/tight_relax_2_test/",
-        "dft static_test_0": "dft_ml_data_generation/static/",
-        "dft static_test_1": "dft_ml_data_generation/static/",
-        "dft static_test_2": "dft_ml_data_generation/static/",
-        "dft static_test_3": "dft_ml_data_generation/static/",
         "Cl-stat_iso_atom_0": "Cl_iso_atoms/Cl-statisoatom/",
         "Cl-stat_iso_atom_1": "Cl_iso_atoms/Cl-statisoatom/",
         "Cl-stat_iso_atom_2": "Cl_iso_atoms/Cl-statisoatom/",
@@ -505,7 +478,6 @@ def ref_paths5_mpid():
         "dft tight relax 1_test": "MP_finetuning/tight_relax_1/",
         "dft tight relax 2_test": "MP_finetuning/tight_relax_2/",
         "Sn-stat_iso_atom": "MP_finetuning/Sn-stat_iso_atom/",
-        "dft static_test": "MP_finetuning/static_test/",
         "dft phonon static 1/1_test": "MP_finetuning/phonon_static_1/",
         "dft rattle static 1/3_test": "MP_finetuning/rand_static_1/",
         "dft rattle static 2/3_test": "MP_finetuning/rand_static_2/",

tests/auto/phonons/test_jobs.py

@@ -45,37 +45,11 @@ def relax_maker():
         )
     )
 
-
-@pytest.fixture(scope="class")
-def static_energy_maker():
-    return StaticMaker(
-            input_set_generator=StaticSetGenerator(
-                auto_ispin=False,
-                user_incar_settings={
-                    "ALGO": "Normal",
-                    "ISPIN": 1,
-                    "LAECHG": False,
-                    "ISMEAR": 0,
-                    "ENCUT": 700,
-                    "SIGMA": 0.05,
-                    "LCHARG": False,  # Do not write the CHGCAR file
-                    "LWAVE": False,  # Do not write the WAVECAR file
-                    "LVTOT": False,  # Do not write LOCPOT file
-                    "LORBIT": None,  # No output of projected or partial DOS in EIGENVAL, PROCAR and DOSCAR
-                    "LOPTICS": False,  # No PCDAT file
-                    # to be removed
-                    "NPAR": 4,
-                },
-            )
-        )
-
-
 @pytest.fixture(scope="class")
 def ref_paths():
     return {
         "dft tight relax 1": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2": "dft_ml_data_generation/tight_relax_2/",
-        "dft static": "dft_ml_data_generation/static/",
         "dft phonon static 1/2": "dft_ml_data_generation/phonon_static_1/",
         "dft phonon static 2/2": "dft_ml_data_generation/phonon_static_2/",
         "dft rattle static 1/3": "dft_ml_data_generation/rand_static_1/",
@@ -89,7 +63,6 @@ def ref_paths_check_sc_mat():
     return {
         "dft tight relax 1": "dft_ml_data_generation/tight_relax_1/",
         "dft tight relax 2": "dft_ml_data_generation/tight_relax_2/",
-        "dft static": "dft_ml_data_generation/static/",
         "dft phonon static 1/2": "dft_ml_data_generation/phonon_static_1_sc_mat/",
         "dft phonon static 2/2": "dft_ml_data_generation/phonon_static_2_sc_mat/",
         "dft rattle static 1/3": "dft_ml_data_generation/rand_static_1_sc_mat/",
@@ -296,7 +269,6 @@ def test_dft_task_doc(
         test_dir,
         memory_jobstore,
         relax_maker,
-        static_energy_maker,
         ref_paths,
         fake_run_vasp_kwargs,
         clean_dir
@@ -307,7 +279,7 @@ def test_dft_task_doc(
     dft_phonon_workflow = dft_phonopy_gen_data(structure=structure, mp_id="test", displacements=[0.01], symprec=0.1,
                                                phonon_displacement_maker=TightDFTStaticMaker(),
                                                phonon_bulk_relax_maker=relax_maker,
-                                               phonon_static_energy_maker=static_energy_maker,
+                                               phonon_static_energy_maker=None,
                                                supercell_settings={"min_length": 10, "min_atoms": 20})
 
     # automatically use fake VASP and write POTCAR.spec during the test
@@ -333,7 +305,8 @@ def test_dft_phonopy_gen_data_manual_supercell_matrix(
         mock_vasp,
         memory_jobstore,
         relax_maker,
-        static_energy_maker,
+        ref_paths_check_sc_mat,
+        fake_run_vasp_kwargs,
         clean_dir
 ):
     path_to_struct = vasp_test_dir / "dft_ml_data_generation" / "POSCAR"
@@ -351,7 +324,7 @@ def test_dft_phonopy_gen_data_manual_supercell_matrix(
     dft_phonon_workflow = dft_phonopy_gen_data(structure=structure, mp_id="test", displacements=[0.01], symprec=0.1,
                                                phonon_displacement_maker=TightDFTStaticMaker(),
                                                phonon_bulk_relax_maker=relax_maker,
-                                               phonon_static_energy_maker=static_energy_maker,
+                                               phonon_static_energy_maker=None,
                                                supercell_settings=supercell_settings)
 
     # automatically use fake VASP and write POTCAR.spec during the test