Add more customize_funcs tests (#1863)

Addresses #1852?

src/quacc/wflow_tools/customizers.py

@@ -187,14 +187,14 @@ def customize_funcs(
 
     for i, func in enumerate(funcs):
         func_ = deepcopy(func)
-        if params := parameters.get("all"):
-            func_ = update_parameters(func_, params)
-        if params := parameters.get(names[i]):
-            func_ = update_parameters(func_, params)
         if "all" in decorators:
             func_ = redecorate(func_, decorators["all"])
         if names[i] in decorators:
             func_ = redecorate(func_, decorators[names[i]])
+        if params := parameters.get("all"):
+            func_ = update_parameters(func_, params)
+        if params := parameters.get(names[i]):
+            func_ = update_parameters(func_, params)
         updated_funcs.append(func_)
 
     return updated_funcs[0] if len(updated_funcs) == 1 else tuple(updated_funcs)

tests/core/wflow/test_customizers.py

@@ -1,5 +1,6 @@
 import pytest
 
+from quacc import job
 from quacc.wflow_tools.customizers import customize_funcs
 
 
@@ -22,6 +23,15 @@ def mult(a, b=1, c=2, d=2):
     assert add_(1) == 5
     assert mult_(1) == 8
 
+    add_, mult_ = customize_funcs(
+        ["add", "mult"],
+        [add, mult],
+        parameters={"add": {"b": 2}, "mult": {"b": 2}},
+        decorators={"add": job(), "mult": job()},
+    )
+    assert add_(1) == 5
+    assert mult_(1) == 8
+
     add_, mult_ = customize_funcs(
         ["add", "mult"], [add, mult], parameters={"all": {"b": 2}}
     )

tests/covalent/test_emt_recipes.py

@@ -4,16 +4,22 @@
 
 from ase.build import bulk
 
+from quacc import job
+
 # from quacc import flow
 # from quacc.recipes.emt.core import relax_job
 from quacc.recipes.emt.slabs import bulk_to_slabs_flow  # skipcq: PYL-C0412
 
 
-def test_functools(tmp_path, monkeypatch):
+@pytest.mark.parametrize("job_decorators", [None, {"relax_job": job()}])
+def test_functools(tmp_path, monkeypatch, job_decorators):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     dispatch_id = ct.dispatch(bulk_to_slabs_flow)(
-        atoms, job_params={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        run_static=False,
+        job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        job_decorators=job_decorators,
     )
     output = ct.get_result(dispatch_id, wait=True)
     assert output.status == "COMPLETED"

tests/dask/test_emt_recipes.py

@@ -6,18 +6,22 @@
 from ase.build import bulk
 from dask.distributed import get_client
 
-from quacc import flow
+from quacc import flow, job
 from quacc.recipes.emt.core import relax_job  # skipcq: PYL-C0412
 from quacc.recipes.emt.slabs import bulk_to_slabs_flow  # skipcq: PYL-C0412
 
 client = get_client()
 
 
-def test_functools(tmp_path, monkeypatch):
+@pytest.mark.parametrize("job_decorators", [None, {"relax_job": job()}])
+def test_functools(tmp_path, monkeypatch, job_decorators):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     delayed = bulk_to_slabs_flow(
-        atoms, job_params={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        run_static=False,
+        job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        job_decorators=job_decorators,
     )
     result = client.compute(delayed).result()
     assert len(result) == 4

tests/parsl/test_emt_recipes.py

@@ -4,7 +4,7 @@
 
 from ase.build import bulk
 
-from quacc import SETTINGS
+from quacc import SETTINGS, job
 from quacc.recipes.emt.core import relax_job  # skipcq: PYL-C0412
 from quacc.recipes.emt.slabs import bulk_to_slabs_flow  # skipcq: PYL-C0412
 
@@ -15,14 +15,18 @@
 
 
 @pytest.mark.parametrize("chdir", [True, False])
-def test_functools(tmp_path, monkeypatch, chdir):
+@pytest.mark.parametrize("job_decorators", [None, {"relax_job": job()}])
+def test_functools(tmp_path, monkeypatch, chdir, job_decorators):
     monkeypatch.chdir(tmp_path)
 
     SETTINGS.CHDIR = chdir
 
     atoms = bulk("Cu")
     result = bulk_to_slabs_flow(
-        atoms, job_params={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        run_static=False,
+        job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        job_decorators=job_decorators,
     ).result()
     assert len(result) == 4
     assert "atoms" in result[-1]

tests/prefect/test_emt_recipes.py

@@ -4,16 +4,20 @@
 
 from ase.build import bulk
 
-from quacc import flow
+from quacc import flow, job
 from quacc.recipes.emt.core import relax_job
 from quacc.recipes.emt.slabs import bulk_to_slabs_flow  # skipcq: PYL-C0412
 
 
-def test_functools(tmp_path, monkeypatch):
+@pytest.mark.parametrize("job_decorators", [None, {"relax_job": job()}])
+def test_functools(tmp_path, monkeypatch, job_decorators):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     output = bulk_to_slabs_flow(
-        atoms, job_params={"relax_job": {"opt_params": {"fmax": 0.1}}}, run_static=False
+        atoms,
+        run_static=False,
+        job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
+        job_decorators=job_decorators,
     )
     result = [future.result() for future in output]
     assert len(result) == 4

tests/redun/test_emt_recipes.py

@@ -9,19 +9,21 @@ def scheduler():
     return redun.Scheduler()
 
 
-from quacc import flow
+from quacc import flow, job
 from quacc.recipes.emt.core import relax_job
 from quacc.recipes.emt.slabs import bulk_to_slabs_flow  # skipcq: PYL-C0412
 
 
-def test_functools(tmp_path, monkeypatch, scheduler):
+@pytest.mark.parametrize("job_decorators", [None, {"relax_job": job()}])
+def test_functools(tmp_path, monkeypatch, scheduler, job_decorators):
     monkeypatch.chdir(tmp_path)
     atoms = bulk("Cu")
     result = scheduler.run(
         bulk_to_slabs_flow(
             atoms,
-            job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
             run_static=False,
+            job_params={"relax_job": {"opt_params": {"fmax": 0.1}}},
+            job_decorators=job_decorators,
         )
     )
     assert len(result) == 4