reverted to the previous kratos workflow

Author: div-tyg

benchmarks/linear-elastic-plate-with-hole/kratos/Snakefile

@@ -42,6 +42,7 @@ rule create_kratos_input_and_run_simulation:
         script_run_kratos_simulation = f"{tool}/run_kratos_simulation.py",
     output:
         kratos_inputfile = f"{result_dir}/{tool}/ProjectParameters_{{configuration}}.json",
+        kratos_materialfile = f"{result_dir}/{tool}/MaterialParameters_{{configuration}}.json",
         result_vtk = f"{result_dir}/{tool}/{{configuration}}/Structure_0_1.vtk",
     conda:
         "environment_simulation.yml",
@@ -52,11 +53,13 @@ rule create_kratos_input_and_run_simulation:
             --input_mdpa_file {input.mdpa} \
             --input_kratos_input_template {input.kratos_input_template} \
             --input_material_template {input.kratos_material_template} \
-            --output_kratos_inputfile {output.kratos_inputfile} 
+            --output_kratos_inputfile {output.kratos_inputfile} \
+            --output_kratos_materialfile {output.kratos_materialfile}
 
         python3 {input.script_run_kratos_simulation} \
             --input_parameter_file {input.parameters} \
-            --input_kratos_inputfile {output.kratos_inputfile}
+            --input_kratos_inputfile {output.kratos_inputfile} \
+            --input_kratos_materialfile {output.kratos_materialfile} \
         """
 
 rule postprocess_kratos_results:

benchmarks/linear-elastic-plate-with-hole/kratos/create_kratos_input.py

@@ -14,7 +14,8 @@ def create_kratos_input(
     mdpa_file: str,
     kratos_input_template_file: str,
     kratos_material_template_file: str,
-    kratos_input_file: str
+    kratos_input_file: str,
+    kratos_material_file: str,
 ):
     ureg = UnitRegistry()
     with open(parameter_file) as f:
@@ -76,13 +77,16 @@ def create_kratos_input(
     material_string = material_string.replace(r'"{{YOUNG_MODULUS}}"', str(E))
     material_string = material_string.replace(r'"{{POISSON_RATIO}}"', str(nu))
 
+    with open(kratos_material_file, "w") as f:
+        f.write(material_string)
+
     with open(kratos_input_template_file) as f:
         project_parameters_string = f.read()
     project_parameters_string = project_parameters_string.replace(
         r"{{MESH_FILE}}", os.path.splitext(mdpa_file)[0]
     )
     project_parameters_string = project_parameters_string.replace(
-        r"{{MATERIAL_FILE}}", material_string
+        r"{{MATERIAL_FILE}}", kratos_material_file
     )
     project_parameters_string = project_parameters_string.replace(
         r"{{BOUNDARY_RIGHT_TRACTION_X}}", sxx_str
@@ -131,12 +135,18 @@ def create_kratos_input(
         required=True,
         help="Path to the kratos input file (output)",
     )
+    parser.add_argument(
+        "--output_kratos_materialfile",
+        required=True,
+        help="Path to the kratos material file (output)",
+    )
     args, _ = parser.parse_known_args()
 
     create_kratos_input(
         parameter_file=args.input_parameter_file,
         mdpa_file=args.input_mdpa_file,
         kratos_input_template_file=args.input_kratos_input_template,
         kratos_material_template_file=args.input_material_template,
-        kratos_input_file=args.output_kratos_inputfile
+        kratos_input_file=args.output_kratos_inputfile,
+        kratos_material_file=args.output_kratos_materialfile,
     )

benchmarks/linear-elastic-plate-with-hole/kratos/run_kratos_simulation.py

@@ -36,6 +36,12 @@
         required=True,
         help="Path to the kratos input file (input)",
     )
+    parser.add_argument(
+        "--input_kratos_materialfile",
+        required=False,
+        default=None,
+        help="Optional path to the kratos material file (unused, kept for compatibility)",
+    )
     args, _ = parser.parse_known_args()
 
     with open(args.input_kratos_inputfile, "r") as kratos_input: