Remove watertap from required dependencies (#9)

* Add back MPI code that was left over from the migration

* Update MPI import paths

* Add pytest.importorskip to test_loop_tool.py if ro_setup not importable

* Remove watertap from required dependencies

* Add unsaved file and format with Black

* Streamline logic handling publishing updates based on config value

* Change exception type to RuntimeError since check happens at runtime

pyproject.toml

@@ -15,9 +15,7 @@ dependencies = [
     "h5py",
     "pyyaml",
     # both idaes-pse and watertap should be removed from core dependencies ASAP
-    "idaes-pse",  # idaes.core.surrogate.pysmo.sampling
-    "watertap",   # watertap.core.solvers.get_solver() (after watertap-org/watertap#1353)
-                  # or imported to apply WaterTAP solver settings (0.12.0 or earlier)
+    "idaes-pse",  # idaes.core.solvers.get_solver(), idaes.core.surrogate.pysmo.sampling
 ]
 [project.optional-dependencies]
 ray = [

src/parameter_sweep/_compat.py

@@ -5,8 +5,6 @@
 try:
     from watertap.core.solvers import get_solver
 except ModuleNotFoundError:
-    # prior to watertap-org/watertap#1353, using get_solver() from IDAES
+    # either watertap is not installed, or is a version prior to watertap-org/watertap#1353
+    # in either case, we use get_solver() from IDAES
     from idaes.core.solvers import get_solver
-
-    # and then importing watertap to override the IDAES solver with the WaterTAP settings
-    import watertap

src/parameter_sweep/loop_tool/tests/test_loop_tool.py

@@ -12,17 +12,20 @@
 import pytest
 import os
 import numpy as np
-
-from parameter_sweep.loop_tool.tests import ro_setup
-from parameter_sweep.loop_tool.loop_tool import loopTool, get_working_dir
-import yaml
 import h5py
+import yaml
 
+from parameter_sweep.loop_tool.loop_tool import loopTool, get_working_dir
 from parameter_sweep.parallel.parallel_manager_factory import (
     has_mpi_peer_processes,
     get_mpi_comm_process,
 )
 
+ro_setup = pytest.importorskip(
+    "parameter_sweep.loop_tool.tests.ro_setup",
+    reason="ro_setup dependencies (typically watertap) not available",
+)
+
 __author__ = "Alexander V. Dudchenko (SLAC)"
 
 _this_file_path = os.path.dirname(os.path.abspath(__file__))

src/parameter_sweep/parallel/MPI/__init__.py

@@ -0,0 +1,16 @@
+#################################################################################
+# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
+# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
+# National Renewable Energy Laboratory, and National Energy Technology
+# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
+# of Energy). All rights reserved.
+#
+# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
+# information, respectively. These files are also available online at the URL
+# "https://github.com/watertap-org/watertap/"
+#################################################################################
+
+try:
+    from mpi4py.MPI import *
+except ImportError:
+    from .dummy_mpi import DummyCOMM as COMM_WORLD

src/parameter_sweep/parallel/MPI/dummy_mpi.py

@@ -0,0 +1,53 @@
+#################################################################################
+# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
+# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
+# National Renewable Energy Laboratory, and National Energy Technology
+# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
+# of Energy). All rights reserved.
+#
+# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
+# information, respectively. These files are also available online at the URL
+# "https://github.com/watertap-org/watertap/"
+#################################################################################
+import numpy as np
+
+
+class DummyCOMM:
+
+    rank = 0
+    size = 1
+
+    @staticmethod
+    def Get_rank():
+        return 0
+
+    @staticmethod
+    def Get_size():
+        return 1
+
+    @staticmethod
+    def Barrier():
+        pass
+
+    @staticmethod
+    def Bcast(array, root=0):
+        pass
+
+    @staticmethod
+    def bcast(array, root=0):
+        return array
+
+    @staticmethod
+    def allgather(value):
+        return [value]
+
+    @staticmethod
+    def Gatherv(sendbuf=None, recvbuf=(None, None), root=0):
+        assert len(recvbuf) == 2
+        assert isinstance(recvbuf, tuple)
+        receive_arr = recvbuf[0]
+        receive_sizes = recvbuf[1]
+
+        assert isinstance(receive_arr, (np.ndarray, list))
+        assert len(receive_arr) == sum(receive_sizes)
+        receive_arr[:] = sendbuf[:]

src/parameter_sweep/parallel/MPI/tests/test_dummy_mpi.py

@@ -0,0 +1,37 @@
+#################################################################################
+# WaterTAP Copyright (c) 2020-2024, The Regents of the University of California,
+# through Lawrence Berkeley National Laboratory, Oak Ridge National Laboratory,
+# National Renewable Energy Laboratory, and National Energy Technology
+# Laboratory (subject to receipt of any required approvals from the U.S. Dept.
+# of Energy). All rights reserved.
+#
+# Please see the files COPYRIGHT.md and LICENSE.md for full copyright and license
+# information, respectively. These files are also available online at the URL
+# "https://github.com/watertap-org/watertap/"
+#################################################################################
+
+import pytest
+import numpy as np
+from parameter_sweep.parallel.MPI.dummy_mpi import DummyCOMM
+
+
+@pytest.mark.integration
+def test_dummy_mpi():
+    comm = DummyCOMM
+    rank = comm.Get_rank()
+    size = comm.Get_size()
+
+    n_arr = 3
+    dummy_array1 = np.arange(n_arr)
+    comm.Bcast(dummy_array1)
+    returned_array = comm.bcast(dummy_array1)
+    returned_list = comm.allgather(dummy_array1)
+    recvbuf = (np.zeros(n_arr), [n_arr])
+    comm.Gatherv(sendbuf=dummy_array1, recvbuf=recvbuf, root=0)
+
+    assert comm is DummyCOMM
+    assert rank == 0
+    assert size == 1
+    assert returned_array is dummy_array1
+    assert returned_list == [dummy_array1]
+    assert (recvbuf[0] == dummy_array1).all

src/parameter_sweep/parameter_sweep.py

@@ -310,20 +310,22 @@ def assign_variable_names(model, outputs):
                 outputs[output_name] = exprs[output_name]
 
     def _publish_updates(self, iteration, solve_status, solve_time):
+        if not self.config.publish_progress:
+            return
+
         if not requests_available:
-            raise ImportError(
+            raise RuntimeError(
                 "requests (parameter_sweep optional dependency) not installed"
             )
 
-        if self.config.publish_progress:
-            publish_dict = {
-                "worker_number": self.parallel_manager.get_rank(),
-                "iteration": iteration,
-                "solve_status": solve_status,
-                "solve_time": solve_time,
-            }
+        publish_dict = {
+            "worker_number": self.parallel_manager.get_rank(),
+            "iteration": iteration,
+            "solve_status": solve_status,
+            "solve_time": solve_time,
+        }
 
-            return requests.put(self.config.publish_address, data=publish_dict)
+        return requests.put(self.config.publish_address, data=publish_dict)
 
     def _create_global_combo_array(self, d, sampling_type):
         num_var_params = len(d)

src/parameter_sweep/tests/test_differential_parameter_sweep.py

@@ -35,7 +35,7 @@
     build_model,
     build_sweep_params_for_tps,
 )
-import watertap.tools.MPI as MPI
+from parameter_sweep.parallel import MPI
 
 from parameter_sweep.model_manager import ModelManager
 

src/parameter_sweep/tests/test_parameter_sweep.py

@@ -21,7 +21,7 @@
 from parameter_sweep import ParameterSweep, parameter_sweep
 from parameter_sweep.writer import *
 
-import watertap.tools.MPI as MPI
+from parameter_sweep.parallel import MPI
 from parameter_sweep.parallel.parallel_manager_factory import has_mpi_peer_processes
 
 # -----------------------------------------------------------------------------

src/parameter_sweep/tests/test_recursive_parameter_sweep.py

@@ -30,7 +30,7 @@
     _assert_dictionary_correctness,
 )
 
-import watertap.tools.MPI as MPI
+from parameter_sweep.parallel import MPI
 
 # -----------------------------------------------------------------------------