Patch reset cavern sg on new stage start

.github/workflows/build-wheels.yml

@@ -1,22 +1,31 @@
 name: Build wheels (intermediate)
 
 on:
+  push:
+    branches:
+      - "*patch*"
   workflow_dispatch:
 
 jobs:
-
-  wheels:
+  build_wheels:
+    name: Build distribution 📦 on ${{ matrix.os }}
     runs-on: ${{ matrix.os }}
     strategy:
       matrix:
-        os: [windows-latest, macOS-13, macOS-latest, ubuntu-latest]
+        # macos-13 is an intel runner, macos-14 is apple silicon
+        os: [ubuntu-latest, windows-latest, macos-13, macos-14]
+
     steps:
-    - uses: actions/checkout@v4
+    - name: Harden Runner
+      uses: step-security/harden-runner@91182cccc01eb5e619899d80e4e971d6181294a7 # v2.10.1
+      with:
+        egress-policy: audit
+    - uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7
+
     - name: Build wheels
-      uses: pypa/[email protected]
-      env:
-        CIBW_BUILD: cp39-* cp310-* cp311-* cp312-*
-        CIBW_SKIP: "*-win32 *-manylinux_i686 pp* *-musllinux*"
-    - uses: actions/upload-artifact@v4
+      uses: pypa/cibuildwheel@d4a2945fcc8d13f20a1b99d461b8e844d5fc6e23 # v2.21.1
+
+    - uses: actions/upload-artifact@50769540e7f4bd5e21e526ee35c689e35e0d6874 # v4.4.0
       with:
+        name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }}
         path: ./wheelhouse/*.whl

.gitignore

@@ -168,3 +168,4 @@ _local/
 docs/apidocs/pymodule/**
 docs/apidocs/clibrary/**
 DEPLOY.bat
+**/*.code-workspace

README.md

@@ -39,6 +39,9 @@ be okay with that :grin: )
 
 
 #### PyPI wheels
+[![pypi](https://img.shields.io/pypi/v/sansmic.svg?maxAge=3600)](https://pypi.org/project/sansmic/)
+[![Downloads](https://static.pepy.tech/badge/sansmic)](https://pepy.tech/project/sansmic)
+
 To install a pre-compiled version of sansmic, use the pip command
 
     python -m pip install sansmic

src/ext_modules/libsansmic/model.cpp

@@ -413,12 +413,14 @@ int sansmic::Model::init_stage(void) {
     // initialize variables associated with the cavern sg
     for (int i = 1; i <= n_nodes; i++) {
       f_disSav[i] = f_dis[i];
-
-      // FIXME: do we really want this next line?
-      if (runMode == Withdrawal && C_cav0 > 1.0) {
-        C_cav[i] = C_cav0;
-      }
     }
+    // FIXME: do we really want this next line?
+    if (runMode == Withdrawal && C_cav0 > 1.0) {
+      std::fill(C_cav.begin(), C_cav.end(), C_cav0);
+      C_cav[n_nodes] = C_hat;
+      C_cavAve = C_cav0;
+    }
+
     std::fill(V_injSigned.begin(), V_injSigned.end(), 0.0);
     std::fill(x_incl.begin(), x_incl.end(), 0.0);
     std::fill(V_saltRemove.begin(), V_saltRemove.end(), 0.0);
@@ -1673,8 +1675,11 @@ void sansmic::Model::close_outfiles(void) {
  * @param sout the file to write to
  */
 void sansmic::Model::write_header(ofstream &sout) {
-  sout << "# Generated by sansmic v" << VERSION_INFO << " under the BSD-3-Clause license." << endl;
-  sout << "# [sansmic (c) 2024 NTESS, https://github.com/SandiaLabs/sansmic/blob/main/LICENSE]" << endl;
+  sout << "# Generated by sansmic v" << VERSION_INFO
+       << " under the BSD-3-Clause license." << endl;
+  sout << "# [sansmic (c) 2024 NTESS, "
+          "https://github.com/SandiaLabs/sansmic/blob/main/LICENSE]"
+       << endl;
 }
 
 /**

src/python/sansmic/io.py

@@ -304,11 +304,10 @@ def read_dat(str_or_buffer, *, ignore_errors=False) -> Scenario:
                     )
                 )
                 raise TypeError("Invalid data in DAT file: RESETGEO not 0")
-            if not first and not bool(1 - int(subsequent)):
+            if not first and isinstance(cavern_sg, (float, int)) and cavern_sg > 1.0:
                 logger.warning(
-                    "The REPEAT option is supposed to turn off the cavern SG; initial cavern SG set to None."
+                    "The REPEAT option was supposed to turn off the cavern SG; it did not do so. sansmic is currently mimicing SANSMIC behavior and resetting the cavern brine to {} sg in stage {}. \n\nIf this is not what is intended, please manually remove the 'set-cavern-sg' entry from stages after stage 1. This behavior will change in future releases.".format(cavern_sg, len(scenario.stages)+1)
                 )
-                cavern_sg = 0.0
             stage.title = title
             stage.simulation_mode = SimulationMode(int(mode))
             stage.save_frequency = int(print_interval)
@@ -359,14 +358,6 @@ def write_scenario(scenario: Scenario, filename: str, *, redundant=False, format
         ):
             del s["stop-condition"]
             del s["stop-value"]
-        if scenario.stages[ct].set_initial_conditions is False and ct > 0:
-            s["set-cavern-sg"] = None
-            s["brine-interface-depth"] = None
-            s["set-initial-conditions"] = None
-        elif scenario.stages[ct].set_initial_conditions is None and ct > 0:
-            s["set-cavern-sg"] = None
-            if not s.get("brine-interface-depth", None) and redundant:
-                s["brine-interface-depth"] = 0
         keys = [k for k in s.keys()]
         for k in keys:
             if (

src/python/sansmic/model.py

@@ -327,8 +327,7 @@ class StageDefinition:
     Automatically set to True for the first stage added to a model."""
     set_cavern_sg: float = None
     """Set the initial specific gravity for all brine-filled cells of the cavern to
-    this value. If set_initial_conditions is False and this is not None (or 0) an error
-    will be raised upon scenario validation."""
+    this value."""
     brine_interface_depth: float = None
     """Set the initial oil-brine interface or blanket level. By default None, which
     will link to the previous stage (as will a value of 0)."""
@@ -369,7 +368,7 @@ def __post_init__(self, defaults=None):
         for k, v in defaults.items():
             k2 = k.strip().replace("-", "_").replace(" ", "_").replace(".", "_")
             if k2 not in self.valid_default_keys:
-                logger.warning(
+                logger.warning(  # pragma: no cover
                     "Ignoring non-defaultable or unknown setting {} = {}".format(
                         k, repr(v)
                     )
@@ -402,9 +401,9 @@ def __setattr__(self, name, value):
                 TypeError("stop_condition cannot be of type {}".format(type(value)))
         elif name == "set_cavern_sg" and value is not None and value < 1.0:
             value = None
-        elif name == "set_initial_conditions" and value is False:
-            self.set_cavern_sg = None
-            self.brine_interface_depth = None
+        # elif name == "set_initial_conditions" and value is False:
+        #     self.set_cavern_sg = None
+        #     self.brine_interface_depth = None
         super().__setattr__(name, value)
 
     @classmethod
@@ -486,22 +485,22 @@ def validate(self):
 
         # Validate appropriate initial conditions settings
         if self.set_initial_conditions and self.set_cavern_sg is None:
-            logger.warn(
+            logger.warning(  # pragma: no cover
                 "Setting the initial conditions without setting cavern sg -- cavern sg will be set to fully saturated brine"
             )
             self.set_cavern_sg = 10.0
-        elif (
-            not self.set_initial_conditions
-            and self.set_cavern_sg is not None
-            and self.set_cavern_sg >= 1.0
-        ):
-            # raise TypeError(
-            logger.warn(
-                "Setting the starting cavern sg requires set_initial_conditions to be set to True -- setting to 0.0"
-            )
-            self.set_cavern_sg = 0.0
+        # elif (
+        #     not self.set_initial_conditions
+        #     and self.set_cavern_sg is not None
+        #     and self.set_cavern_sg >= 1.0
+        # ):
+        #     # raise TypeError(
+        #     logger.warning( # pragma: no cover
+        #         "Setting the starting cavern sg requires set_initial_conditions to be set to True -- setting to 0.0"
+        #     )
+        #     self.set_cavern_sg = 0.0
         elif not self.set_initial_conditions and self.brine_interface_depth:
-            logger.warn(
+            logger.warning(  # pragma: no cover
                 "Make sure you meant to reset the interface level; use 0.0 or None to continue from the last stage."
             )
 
@@ -698,13 +697,7 @@ def _to_cstage(self, defaults=None) -> _ext.CStage:
             else self.inner_tbg_outside_diam / 2.0
         )
         stage.injection_fluid_sg = self.brine_injection_sg
-        stage.cavern_sg = (
-            0.0
-            if not self.set_initial_conditions
-            or self.set_cavern_sg is None
-            or self.set_cavern_sg < 1.0
-            else self.set_cavern_sg
-        )
+        stage.cavern_sg = self.set_cavern_sg if self.set_cavern_sg is not None else 0.0
         stage.timestep = self.solver_timestep
         stage.injection_duration = self.injection_duration
         stage.fill_rate = (

tests/test_io.py

@@ -259,7 +259,7 @@ def test_read_scenario_ordinary_reverse_multistage(self):
         self.assertEqual(scenario.stages[2].outer_csg_inside_diam / 2, 8.925)
         self.assertEqual(scenario.stages[2].outer_csg_outside_diam / 2, 9.375)
         self.assertEqual(scenario.stages[2].brine_injection_sg, 1.03)
-        self.assertIsNone(scenario.stages[2].set_cavern_sg)
+        self.assertEqual(scenario.stages[2].set_cavern_sg, 1.2019)
         self.assertEqual(scenario.stages[2].solver_timestep, 0.1)
         self.assertEqual(scenario.stages[2].injection_duration, 72)
         self.assertEqual(scenario.stages[2].product_injection_rate, 0.0)