[WIP] Asktell/optimas gen test

libensemble/specs.py

@@ -3,6 +3,7 @@
 from pathlib import Path
 
 import pydantic
+from gest_api.vocs import VOCS
 from pydantic import BaseModel, Field
 
 from libensemble.alloc_funcs.give_sim_work_first import give_sim_work_first
@@ -87,6 +88,12 @@ class GenSpecs(BaseModel):
     A pre-initialized generator object.
     """
 
+    vocs: VOCS | None = None
+    """
+    A `VOCS <https://github.com/campa-consortium/gest-api?tab=readme-ov-file#vocs>`_ object.
+    Required if specifying a generator object that adheres to the GEST API.
+    """
+
     inputs: list[str] | None = Field(default=[], alias="in")
     """
     list of **field names** out of the complete history to pass

libensemble/tests/regression_tests/test_asktell_optimas_sample.py

@@ -0,0 +1,70 @@
+"""
+Runs libEnsemble with APOSMM with the NLopt local optimizer.
+
+Execute via one of the following commands (e.g. 3 workers):
+   mpiexec -np 4 python test_persistent_aposmm_nlopt.py
+   python test_persistent_aposmm_nlopt.py --nworkers 3 --comms local
+   python test_persistent_aposmm_nlopt.py --nworkers 3 --comms tcp
+
+When running with the above commands, the number of concurrent evaluations of
+the objective function will be 2, as one of the three workers will be the
+persistent generator.
+"""
+
+# Do not change these lines - they are parsed by run-tests.sh
+# TESTSUITE_COMMS: local mpi
+# TESTSUITE_NPROCS: 4
+# TESTSUITE_EXTRA: true
+
+import sys
+from time import time
+
+from gest_api.vocs import VOCS
+from optimas.generators import GridSamplingGenerator
+
+# Import libEnsemble items for this test
+from libensemble import Ensemble
+from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
+from libensemble.sim_funcs.six_hump_camel import six_hump_camel as sim_f
+from libensemble.specs import AllocSpecs, ExitCriteria, GenSpecs, SimSpecs
+
+if __name__ == "__main__":
+
+    workflow = Ensemble(parse_args=True)
+
+    if workflow.is_manager:
+        start_time = time()
+
+    if workflow.nworkers < 2:
+        sys.exit("Cannot run with a persistent worker if only one worker -- aborting...")
+
+    n = 2
+
+    workflow.sim_specs = SimSpecs(sim_f=sim_f, inputs=["x"], outputs=[("f", float)])
+    workflow.alloc_specs = AllocSpecs(alloc_f=alloc_f)
+    workflow.exit_criteria = ExitCriteria(sim_max=35)
+
+    vocs = VOCS(
+        variables={"x0": [-3, 3], "x1": [-2, 2]},
+        objectives={"f": "MINIMIZE"},
+    )
+
+    # Generator from Optimas
+    gen = GridSamplingGenerator(vocs, n_steps=[5, 7])
+
+    workflow.gen_specs = GenSpecs(
+        persis_in=["x", "f"],
+        outputs=[("x", float, 2)],
+        generator=gen,
+        batch_size=5,
+        initial_batch_size=10,
+    )
+
+    workflow.libE_specs.gen_on_manager = True
+    workflow.add_random_streams()
+
+    H, _, _ = workflow.run()
+
+    if workflow.is_manager:
+        print("[Manager]: Time taken =", time() - start_time, flush=True)
+        print("[Manager]:", H[["x", "f"]])

libensemble/utils/misc.py

@@ -145,7 +145,10 @@ def list_dicts_to_np(list_dicts: list, dtype: list = None, mapping: dict = {}) -
             entry["sim_id"] = entry.pop("_id")
 
     # first entry is used to determine dtype
-    first = list_dicts[0]
+    try:
+        first = list_dicts[0]
+    except IndexError:
+        raise IndexError("Generator returned empty list upon internal suggest.")
 
     # build a presumptive dtype
     new_dtype_names = _get_new_dtype_fields(first, mapping)

libensemble/utils/pydantic_bindings.py

@@ -17,6 +17,7 @@
     check_mpi_runner_type,
     check_provided_ufuncs,
     check_set_gen_specs_from_variables,
+    check_set_gen_specs_from_vocs,
     check_valid_comms_type,
     check_valid_in,
     check_valid_out,
@@ -78,6 +79,7 @@
             "check_valid_out": check_valid_out,
             "check_valid_in": check_valid_in,
             "check_set_gen_specs_from_variables": check_set_gen_specs_from_variables,
+            "check_set_gen_specs_from_vocs": check_set_gen_specs_from_vocs,
             "genf_set_in_out_from_attrs": genf_set_in_out_from_attrs,
         },
     )

libensemble/utils/specs_checkers.py

@@ -32,6 +32,11 @@ def _check_set_gen_specs_from_variables(values):
     return values
 
 
+def _check_set_gen_specs_from_vocs(values):
+    if not len(scg(values, "persis_in")) and scg(values, "generator"):
+        print("asdlkhfgasdoijhf")
+
+
 def _check_H0(values):
     if scg(values, "H0").size > 0:
         H0 = scg(values, "H0")

libensemble/utils/validators.py

@@ -13,6 +13,7 @@
     _check_logical_cores,
     _check_set_calc_dirs_on_input_dir,
     _check_set_gen_specs_from_variables,
+    _check_set_gen_specs_from_vocs,
     _check_set_workflow_dir,
 )
 
@@ -161,6 +162,11 @@ def check_set_gen_specs_from_variables(self):
     return _check_set_gen_specs_from_variables(self)
 
 
+@model_validator(mode="after")
+def check_set_gen_specs_from_vocs(self):
+    return _check_set_gen_specs_from_vocs(self)
+
+
 @model_validator(mode="after")
 def check_provided_ufuncs(self):
     assert hasattr(self.sim_specs, "sim_f"), "Simulation function not provided to SimSpecs."

pyproject.toml

@@ -143,4 +143,4 @@ extend-exclude = ["*.bib", "*.xml", "docs/nitpicky"]
 disable_error_code = ["import-not-found", "import-untyped"]
 
 [dependency-groups]
-dev = ["pyenchant", "enchant>=0.0.1,<0.0.2", "flake8-modern-annotations>=1.6.0,<2", "flake8-type-checking>=3.0.0,<4", "wat>=0.6.0,<0.7"]
+dev = ["pyenchant", "enchant>=0.0.1,<0.0.2", "flake8-modern-annotations>=1.6.0,<2", "flake8-type-checking>=3.0.0,<4", "wat>=0.6.0,<0.7", "optimas @ git+https://github.com/optimas-org/optimas.git@vocs"]