Allow executable to be specified in PluginMOOSE constructor

examples/1App_BISON_MetalFuel/watts_exec.py

@@ -1,8 +1,9 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
-from math import cos, pi
+from pathlib import Path
 import os
+
 import watts
 
 params = watts.Parameters()
@@ -38,12 +39,14 @@
 params.show_summary(show_metadata=False, sort_by='key')
 
 # MOOSE Workflow
-# set your BISON directorate as BISON_DIR
-
-moose_app_type = "bison"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE('bison_template', show_stdout=True) # show all the output
-moose_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+# set your BISON directory as BISON_DIR
+
+app_dir = Path(os.environ["BISON_DIR"])
+moose_plugin = watts.PluginMOOSE(
+    'bison_template',
+    executable=app_dir / 'bison-opt',
+    show_stdout=True
+)
 moose_result = moose_plugin(params, mpi_args=['mpiexec', '-n', '2'])
 for key in moose_result.csv_data:
     print(key, moose_result.csv_data[key])

examples/1App_MOOSE-MultiApp_Simple/watts_exec.py

@@ -2,11 +2,13 @@
 # SPDX-License-Identifier: MIT
 
 """
-This example provides a demonstration on how to use WATTS to perform a simple simulation leveraging MOOSE's MultiApps system.
+This example provides a demonstration on how to use WATTS to perform a simple
+simulation leveraging MOOSE's MultiApps system.
 """
 
-from math import cos, pi
+from pathlib import Path
 import os
+
 import watts
 
 params = watts.Parameters()
@@ -18,12 +20,14 @@
 params.show_summary(show_metadata=False, sort_by='key')
 
 # MOOSE Workflow
-# set your BISON directorate as BISON_DIR
+# set your BISON directory as BISON_DIR
 
-moose_app_type = "bison"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE('main.tmpl', extra_inputs=['main_in.e', 'sub.i'])
-moose_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+app_dir = Path(os.environ["BISON_DIR"])
+moose_plugin = watts.PluginMOOSE(
+    'main.tmpl',
+    executable=app_dir / 'bison-opt',
+    extra_inputs=['main_in.e', 'sub.i']
+)
 moose_result = moose_plugin(params)
 for key in moose_result.csv_data:
     print(key, moose_result.csv_data[key])

examples/1App_SAM_VHTR/watts_exec.py

@@ -12,6 +12,8 @@
 
 from math import cos, pi
 import os
+from pathlib import Path
+
 import watts
 from astropy.units import Quantity
 
@@ -52,12 +54,10 @@
 params.show_summary(show_metadata=False, sort_by='key')
 
 # MOOSE Workflow
-# set your SAM directorate as SAM_DIR
+# set your SAM directory as SAM_DIR
 
-moose_app_type = "SAM"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE(moose_app_type.lower() + '_template') # show all the output
-moose_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+app_dir = Path(os.environ["SAM_DIR"])
+moose_plugin = watts.PluginMOOSE('sam_template', executable=app_dir / 'sam-opt')
 moose_result = moose_plugin(params)
 for key in moose_result.csv_data:
     print(key, moose_result.csv_data[key])

examples/Main_SAM-OpenMC_VHTR/watts_main.py

@@ -7,10 +7,11 @@
 sensitivity analyses.
 """
 
+from pathlib import Path
 from math import cos, pi
 import os
 import watts
-from statistics import mean, stdev
+from statistics import mean
 from openmc_template import build_openmc_model
 
 params = watts.Parameters()
@@ -64,11 +65,13 @@ def calc_workflow(X):
     print("FuelPin_rad / cool_hole_rad", X[0], X[1])
 
     # MOOSE Workflow
-    # set your SAM directorate as SAM_DIR
-    moose_app_type = "SAM"
-    app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-    sam_plugin = watts.PluginMOOSE('../1App_SAM_VHTR/sam_template', show_stderr=False) # does not show anything
-    sam_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+    # set your SAM directory as SAM_DIR
+    app_dir = Path(os.environ["SAM_DIR"])
+    sam_plugin = watts.PluginMOOSE(
+        '../1App_SAM_VHTR/sam_template',
+        executable=app_dir / 'sam-opt',
+        show_stderr=False
+    )
     sam_result = sam_plugin(params)
     max_Tf = max(sam_result.csv_data[f'max_Tf_{i}'][-1] for i in range(1, 6))
     avg_Tf = mean(sam_result.csv_data[f'avg_Tf_{i}'][-1] for i in range(1, 6))

examples/MultiApp_SAM-OpenMC_VHTR/watts_exec.py

@@ -15,6 +15,7 @@
 in the params database.
 """
 
+from pathlib import Path
 from math import cos, pi
 import os
 import watts
@@ -70,12 +71,14 @@
 
 
 # MOOSE Workflow
-# set your SAM directorate as SAM_DIR
-
-moose_app_type = "SAM"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-moose_plugin = watts.PluginMOOSE('../1App_SAM_VHTR/sam_template', show_stderr=True) # show only error
-moose_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+# set your SAM directory as SAM_DIR
+
+app_dir = Path(os.environ["SAM_DIR"])
+moose_plugin = watts.PluginMOOSE(
+    '../1App_SAM_VHTR/sam_template',
+    executable=app_dir / 'sam-opt',
+    show_stderr=True
+)
 moose_result = moose_plugin(params)
 for key in moose_result.csv_data:
     print(key, moose_result.csv_data[key])

examples/MultiStep_Griffin-BISON-Sockeye_MR/watts_exec.py

@@ -1,6 +1,7 @@
 # SPDX-FileCopyrightText: 2022 UChicago Argonne, LLC
 # SPDX-License-Identifier: MIT
 
+from pathlib import Path
 import os
 import watts
 
@@ -11,15 +12,15 @@
 Third step is a real transient simulation induced by loss of cooling capacity
 """
 
-# set your SuperMoose directory as SUPER_MOOSE
+# set your SuperMoose directory as SUPER_MOOSE_DIR
 # As Sockeye is run through dynamic linking
 # set your Sockeye directory as SOCKEYE_DIR
 
 if not os.getenv("SOCKEYE_DIR"):
     raise RuntimeError("SOCKEYE_DIR must be set to enable this example.")
 # MOOSE app type to run
-moose_app_type = "super_moose"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
+app_dir = Path(os.enrivon["SUPER_MOOSE_DIR"])
+moose_exec = app_dir / "super_moose-opt"
 
 # Steady State Parameters
 params_ss = watts.Parameters()
@@ -42,8 +43,11 @@
 # MOOSE Workflow for steady state
 print("Steady-state calculation")
 mpi_args = ['mpiexec', '-n', '40']
-moose_plugin_ss = watts.PluginMOOSE('MP_ss_griffin.tmpl', extra_inputs=['MP_ss_moose.i', 'MP_ss_sockeye.i', '3D_unit_cell_FY21_level-1_bison.e', '3D_unit_cell_FY21_supersimple.e', 'unitcell_nogap_hom_xml_G11_df_MP.xml'])
-moose_plugin_ss.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+moose_plugin_ss = watts.PluginMOOSE(
+    'MP_ss_griffin.tmpl',
+    executable=moose_exec,
+    extra_inputs=['MP_ss_moose.i', 'MP_ss_sockeye.i', '3D_unit_cell_FY21_level-1_bison.e', '3D_unit_cell_FY21_supersimple.e', 'unitcell_nogap_hom_xml_G11_df_MP.xml']
+)
 moose_result_ss = moose_plugin_ss(params_ss, mpi_args=mpi_args)
 for key in moose_result_ss.csv_data:
     print(key, moose_result_ss.csv_data[key])
@@ -58,8 +62,12 @@
 
 # MOOSE Workflow for Null transient
 print("Null transient calculation")
-moose_plugin_trN = watts.PluginMOOSE('MP_trN_griffin.tmpl', show_stdout=False, extra_inputs=['MP_trN_moose.i', 'MP_trN_sockeye.i', 'unitcell_nogap_hom_xml_G11_df_MP.xml'])
-moose_plugin_trN.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+moose_plugin_trN = watts.PluginMOOSE(
+    'MP_trN_griffin.tmpl',
+    executable=moose_exec,
+    show_stdout=False,
+    extra_inputs=['MP_trN_moose.i', 'MP_trN_sockeye.i', 'unitcell_nogap_hom_xml_G11_df_MP.xml']
+)
 moose_result_trN = moose_plugin_trN(params_trN, mpi_args=mpi_args)
 for key in moose_result_trN.csv_data:
     print(key, moose_result_trN.csv_data[key])
@@ -78,8 +86,12 @@
 
 # MOOSE Workflow for transient
 print("Transient calculation")
-moose_plugin_tr = watts.PluginMOOSE('MP_tr_griffin.tmpl', show_stdout=True, extra_inputs=['MP_tr_moose.i', 'MP_tr_sockeye.i', 'unitcell_nogap_hom_xml_G11_df_MP.xml'])
-moose_plugin_tr.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+moose_plugin_tr = watts.PluginMOOSE(
+    'MP_tr_griffin.tmpl',
+    executable=moose_exec,
+    show_stdout=True,
+    extra_inputs=['MP_tr_moose.i', 'MP_tr_sockeye.i', 'unitcell_nogap_hom_xml_G11_df_MP.xml']
+)
 moose_result_tr = moose_plugin_tr(params_tr, mpi_args=mpi_args)
 for key in moose_result_tr.csv_data:
     print(key, moose_result_tr.csv_data[key])

examples/ParamStudy_SAM_VHTR/watts_exec.py

@@ -15,8 +15,9 @@
 output CSV file can accept columns of different lengths.
 """
 
-from math import cos, pi
+from pathlib import Path
 import os
+
 import watts
 import pandas as pd
 from astropy.units import Quantity
@@ -45,8 +46,7 @@
 params.show_summary(show_metadata=False, sort_by='key')
 
 # MOOSE Workflow
-moose_app_type = "SAM"
-app_dir = os.environ[moose_app_type.upper() + "_DIR"]
+app_dir = Path(os.environ["SAM_DIR"])
 
 power = [100_000, 250_000, 300_000, 400_000, 500_000] # Watts
 endtime = [50, 100, 100, 50, 50] # End time is varied to artificially create results of different lengths.
@@ -56,8 +56,7 @@
     params['endtime'] = endtime[i]
 
     # Execute WATTS
-    moose_plugin = watts.PluginMOOSE(moose_app_type.lower() + '_template') # show all the output
-    moose_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+    moose_plugin = watts.PluginMOOSE('sam_template', executable=app_dir / 'sam-opt')
     moose_result = moose_plugin(params)
 
     # Add items to dictionary.

examples/PicardIterations_SAM-OpenMC_VHTR/watts_exec.py

@@ -9,6 +9,7 @@
 model with 1 coolant channel surrounded by graphite and fuel.
 """
 
+from pathlib import Path
 from math import cos, pi
 import os
 import watts
@@ -64,13 +65,15 @@
 nmax_it = 5
 conv_criteria = 1e-4
 
+app_dir = Path(os.environ["SAM_DIR"])
 list_keff = []
 while conv_it:
     # MOOSE Workflow
-    moose_app_type = "SAM"
-    app_dir = os.environ[moose_app_type.upper() + "_DIR"]
-    sam_plugin = watts.PluginMOOSE('../1App_SAM_VHTR/sam_template', show_stderr=True) # show only error
-    sam_plugin.executable = app_dir + "/" + moose_app_type.lower() + "-opt"
+    sam_plugin = watts.PluginMOOSE(
+        '../1App_SAM_VHTR/sam_template',
+        executable=app_dir / "sam-opt",
+        show_stderr=True
+    )
     sam_result = sam_plugin(params)
 
     # get temperature from SAM results

src/watts/plugin_moose.py

@@ -2,7 +2,6 @@
 # SPDX-License-Identifier: MIT
 
 from datetime import datetime
-from pathlib import Path
 from typing import List, Optional
 
 import numpy as np
@@ -84,6 +83,8 @@ class PluginMOOSE(PluginGeneric):
     ----------
     template_file
         Templated MOOSE input
+    executable
+        Path to MOOSE executable
     extra_inputs
         List of extra (non-templated) input files that are needed
     extra_template_inputs
@@ -103,10 +104,10 @@ class PluginMOOSE(PluginGeneric):
     """
 
     def __init__(self, template_file: str,
+                 executable: PathLike = 'moose-opt',
                  extra_inputs: Optional[List[str]] = None,
                  extra_template_inputs: Optional[List[PathLike]] = None,
                  show_stdout: bool = False, show_stderr: bool = False):
-        executable = 'moose-opt'
         execute_command = ['{self.executable}', '-i', '{self.input_name}']
         super().__init__(
             executable, execute_command, template_file, extra_inputs,