processforge 0.2.40__tar.gz → 0.3.2__tar.gz

{processforge-0.2.40 → processforge-0.3.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.2.40
+Version: 0.3.2
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Processforge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause
@@ -102,9 +102,9 @@ uv tool install "processforge[modelica]"
 3. **Initialize, plan, and apply**
 
    ```bash
-   pf init
-   pf plan hydraulic-chain.json
-   pf apply hydraulic-chain.json
+   pf init flowsheets/hydraulic-chain.json
+   pf plan flowsheets/hydraulic-chain.json
+   pf apply flowsheets/hydraulic-chain.json
    ```
 
    `plan` validates the flowsheet (schema, DOF, units) without running the solver; `apply` solves it and stores a snapshot.
@@ -112,8 +112,8 @@ uv tool install "processforge[modelica]"
 4. **Look at the output**
 
    `pf apply` writes results under `outputs/`:
-   - `*_results.zarr` — simulation results store
-   - `*_validation.xlsx` — validation report
+   - `*_results.zarr` — simulation results store (per-variable arrays, composition flattened)
+   - `*_results.zarr.schema.json` — schema file describing streams, variables, dtypes, units, shapes, and run provenance
    - `*.pfstate/` — versioned snapshot store with a `latest` pointer
 
    For flowsheets with Tank units (dynamic), use `pf run` instead of `pf apply` to solve with the SM solver.
@@ -127,8 +127,10 @@ fs = EOFlowsheet(config, backend="scipy")
 results = fs.run()
 ```
 
-## Usage and Docker
-Processforge is also available as Docker images, and can be run in the cloud. See the [usage guide](docs/usage.md) for CLI commands, workflows, Docker, and cloud notes.
+## Usage
+See the [usage guide](docs/usage.md) for CLI commands and workflows.
+
+Individual providers (e.g. FESTIM, OpenMC) can be run via Docker images using the provider image contract.
 
 ## Flowsheets
 The core of Processforge is the flowsheet JSON format, which defines materials, units, and recycle rules. See below for more information on the formats and example flowsheets.

{processforge-0.2.40 → processforge-0.3.2}/README.md

@@ -43,9 +43,9 @@ uv tool install "processforge[modelica]"
 3. **Initialize, plan, and apply**
 
    ```bash
-   pf init
-   pf plan hydraulic-chain.json
-   pf apply hydraulic-chain.json
+   pf init flowsheets/hydraulic-chain.json
+   pf plan flowsheets/hydraulic-chain.json
+   pf apply flowsheets/hydraulic-chain.json
    ```
 
    `plan` validates the flowsheet (schema, DOF, units) without running the solver; `apply` solves it and stores a snapshot.
@@ -53,8 +53,8 @@ uv tool install "processforge[modelica]"
 4. **Look at the output**
 
    `pf apply` writes results under `outputs/`:
-   - `*_results.zarr` — simulation results store
-   - `*_validation.xlsx` — validation report
+   - `*_results.zarr` — simulation results store (per-variable arrays, composition flattened)
+   - `*_results.zarr.schema.json` — schema file describing streams, variables, dtypes, units, shapes, and run provenance
    - `*.pfstate/` — versioned snapshot store with a `latest` pointer
 
    For flowsheets with Tank units (dynamic), use `pf run` instead of `pf apply` to solve with the SM solver.
@@ -68,8 +68,10 @@ fs = EOFlowsheet(config, backend="scipy")
 results = fs.run()
 ```
 
-## Usage and Docker
-Processforge is also available as Docker images, and can be run in the cloud. See the [usage guide](docs/usage.md) for CLI commands, workflows, Docker, and cloud notes.
+## Usage
+See the [usage guide](docs/usage.md) for CLI commands and workflows.
+
+Individual providers (e.g. FESTIM, OpenMC) can be run via Docker images using the provider image contract.
 
 ## Flowsheets
 The core of Processforge is the flowsheet JSON format, which defines materials, units, and recycle rules. See below for more information on the formats and example flowsheets.

{processforge-0.2.40 → processforge-0.3.2}/flowsheets/closed-loop-chain.json

@@ -118,7 +118,7 @@
       "type": "Pump",
       "in": "before_pump_1",
       "out": "after_pump_1",
-      "deltaP": 200000.0,
+      "delta_p": 200000.0,
       "efficiency": 0.75,
       "material": 3
     },

processforge-0.3.2/flowsheets/custom/crimson/MUWS.json

@@ -0,0 +1,216 @@
+{
+  "metadata": {
+    "name": "Make-up Water System",
+    "description": "A two-pump, five-valve, one-strainer, one tank steady-state make-up water system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Water": {
+      "id": 1
+    },
+    "Steel": {
+      "id": 2
+    }
+  },
+   "streams": {
+    "feed": {
+      "T": 313.00,
+      "P": 101325,
+      "flowrate": 1,
+      "z": { "Water": 1.0 }
+    }
+   },
+   
+   "units": {
+
+    "tank_1": {
+      "type": "Tank",
+      "in": ["feed", "recycle_to_tank"],
+      "out": "after_tank_1",
+      "outlet_flow": 1.0,
+      "initial_n": {
+        "Benzene": 9.0,
+        "Toluene": 1.0
+      },
+      "initial_T": 298.15,
+      "P": 101325,
+      "duty": 0.0,
+      "material": 1
+    },
+     
+  "pipe_1": {
+      "type": "Pipes",
+      "in": "after_tank_1",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },    
+    "global_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_1",
+       "out": "after_global_valve_1",
+       "opening": 50,
+       "pressure_ratio": 0.5,
+       "q_flowrate": 50,
+       "material": 2
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_global_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    
+    "low_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_2",
+       "out": "after_low_pressure_pump",
+       "q_flowrate": 4,
+       "head": 57,
+       "efficiency": 36,
+       "power": 1.3,
+       "cap": 2.5,
+       "motor_rating": 370,
+       "design_press": 6,
+       "material": 2,
+       "delta_p": 1000.0
+     },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_low_pressure_pump",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "non_return_valve_1": {
+       "type": "Valve",
+       "in": "after_pipe_3",
+       "out": "after_non_return_valve_1",
+       "q_flowrate": 4,
+       "pressure_ratio": 0.5,
+       "pressure_drop": 0.72,
+       "material": 2
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "strainer": {
+       "type": "Strainer",
+       "in": "after_pipe_4",
+       "out": "after_strainer",
+       "q_flowrate": 4,
+       "pressure_drop": 0.192,
+       "material": 2,       
+       "delta_p": 1000.0
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_strainer",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "global_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_5",
+       "out": "after_global_valve_2",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,       
+       "pressure_ratio": 0.5
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_global_valve_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "high_pressure_pump":{
+       "type": "Pump",
+       "in": "after_pipe_6",
+       "out": "after_high_pressure_pump",
+       "q_flowrate": 35,
+       "head": 32,
+       "efficiency": 25,
+       "power": 4.75,
+       "cap": 600,
+       "discharge_press": 50,
+       "motor_rating": 7.5,
+       "relief_press": 200,
+       "material": 2,
+       "delta_p": 1000.0
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_high_pressure_pump",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+     "non_return_valve_2": {
+       "type": "Valve",
+       "in": "after_pipe_7",
+       "out": "after_non_return_valve_2",
+       "q_flowrate": 4,
+       "pressure_drop": 0.72,
+       "material": 2,       
+       "pressure_ratio": 0.5
+     },
+     "pipe_8": {
+      "type": "Pipes",
+      "in": "after_non_return_valve_2",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.05,
+      "material": 2
+    },
+    "global_valve_3": {
+       "type": "Valve",
+       "in": "after_pipe_8",
+       "out": "after_valve_3",
+       "opening": 50,
+       "q_flowrate": 50,
+       "material": 2,
+       "pressure_ratio": 0.5
+    },
+
+
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "recycle_to_tank",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 2
+    }
+  
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 17.0,
+    "dt": 1.0,
+    "backend": "scipy"
+  }
+}
+
+
+

processforge-0.3.2/flowsheets/custom/simple_hyrdaulic_scheme.json

@@ -0,0 +1,202 @@
+{
+  "metadata": {
+    "name": "Hydraulic Chain Example",
+    "description": "A two-pump, one-valve, one-strainer steady-state hydraulic system.",
+    "version": "2.0"
+  },
+  "providers": {
+    "coolprop": {
+      "type": "coolprop"
+    }
+  },
+  "materials": {
+    "Benzene": {
+      "id": 1
+    },
+    "Toluene": {
+      "id": 2
+    },
+    "Steel": {
+      "id": 3
+    }
+  },
+  "material_mixes": {
+    "Benzene_Toluene_Mix": {
+      "friendly_material_mix_id": 1,
+      "percent_type": "ao",
+      "components": [
+        {"name": "Benzene", "fraction": 0.8},
+        {"name": "Toluene", "fraction": 0.2}
+      ]
+    }
+  },
+  "streams": {
+    "feed": {
+      "T": 298.15,
+      "P": 101325,
+      "flowrate": 38,
+      "material_mix": 1
+    }
+  },
+  "units": {
+    "pipe_1": {
+      "type": "Pipes",
+      "in": "feed",
+      "out": "after_pipe_1",
+      "delta_p": 1000.0,
+      "diameter": 0.040,
+      "material": 3
+    },
+    "valve_1": {
+      "type": "Valve",
+      "in": "after_pipe_1",
+      "out": "after_valve_1",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2": {
+      "type": "Pipes",
+      "in": "after_valve_1",
+      "out": "after_pipe_2",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_1": {
+      "type": "Pump",
+      "in": "after_pipe_2",
+      "out": "after_pump_1",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_3": {
+      "type": "Pipes",
+      "in": "after_pump_1",
+      "out": "after_pipe_3",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "strainer_1": {
+      "type": "Strainer",
+      "in": "after_pipe_3",
+      "out": "after_strainer_1",
+      "delta_p": 5000.0,
+      "material": 3
+    },
+    "pipe_4": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_4",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pipe_1a": {
+      "type": "Pipes",
+      "in": "after_strainer_1",
+      "out": "after_pipe_1a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_1a": {
+      "type": "Valve",
+      "in": "after_pipe_1a",
+      "out": "after_valve_1a",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_2a": {
+      "type": "Pipes",
+      "in": "after_valve_1a",
+      "out": "after_pipe_2a",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_2": {
+      "type": "Valve",
+      "in": "after_pipe_4",
+      "out": "after_valve_2",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_5": {
+      "type": "Pipes",
+      "in": "after_valve_2",
+      "out": "after_pipe_5",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "pump_2": {
+      "type": "Pump",
+      "in": "after_pipe_5",
+      "out": "after_pump_2",
+      "delta_p": 600000.0,
+      "efficiency": 0.75,
+      "material": 3
+    },
+    "pipe_6": {
+      "type": "Pipes",
+      "in": "after_pump_2",
+      "out": "after_pipe_6",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_3": {
+      "type": "Valve",
+      "in": "after_pipe_6",
+      "out": "after_valve_3",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_7": {
+      "type": "Pipes",
+      "in": "after_valve_3",
+      "out": "after_pipe_7",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_4": {
+      "type": "Valve",
+      "in": "after_pipe_7",
+      "out": "after_valve_4",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_8": {
+      "type": "Pipes",
+      "in": "after_valve_4",
+      "out": "after_pipe_8",
+      "delta_p": 1000.0,
+      "diameter": 0.08,
+      "material": 3
+    },
+    "valve_5": {
+      "type": "Valve",
+      "in": ["after_pipe_8","after_pipe_2a"],
+      "out": "after_valve_5",
+      "pressure_ratio": 0.5,
+      "material": 3
+    },
+    "pipe_9": {
+      "type": "Pipes",
+      "in": "after_valve_5",
+      "out": "after_pipe_9",      
+      "delta_p": 1000.0,
+      "diameter": 0.025,
+      "material": 3
+    }
+    
+  },
+  "simulation": {
+    "mode":"dynamic",
+    "t_final": 20,
+    "t_step": 1 
+  }
+}

{processforge-0.2.40 → processforge-0.3.2}/flowsheets/hydraulic-chain.json

@@ -43,7 +43,7 @@
       "type": "Pump",
       "in": "feed",
       "out": "after_pump_1",
-      "deltaP": 100000.0,
+      "delta_p": 100000.0,
       "efficiency": 0.75,
       "material": 3
     },
@@ -74,7 +74,7 @@
       "type": "Strainer",
       "in": "after_pipe_2",
       "out": "after_strainer_1",
-      "deltaP": 5000.0,
+      "delta_p": 5000.0,
       "material": 3
     },
     "pipe_3": {
@@ -89,7 +89,7 @@
       "type": "Pump",
       "in": "after_pipe_3",
       "out": "after_pump_2",
-      "deltaP": 200000.0,
+      "delta_p": 200000.0,
       "efficiency": 0.8,
       "material": 3
     },

{processforge-0.2.40 → processforge-0.3.2}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "processforge"
-version = "0.2.40"
+version = "0.3.2"
 description = "A Python-based process simulation framework for chemical engineering applications."
 readme = "README.md"
 license = "BSD-3-Clause"

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/__init__.py

@@ -29,7 +29,7 @@ from .units.flash import Flash
 from .units.heater import Heater
 from .eo import EOFlowsheet, EOSolver
 
-__version__ = "0.2.40"
+__version__ = "0.3.2"
 
 __all__ = [
     "Flowsheet",

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/analysis/dof.py

@@ -29,9 +29,9 @@ class SystemDOFReport:
 #   - a string means the key must be present
 #   - a tuple means at least one of the keys must be present
 _UNIT_REQUIRED: dict[str, list] = {
-    "Pump":            ["deltaP"],
+    "Pump":            ["delta_p"],
     "Valve":           ["pressure_ratio"],
-    "Strainer":        ["deltaP"],
+    "Strainer":        ["delta_p"],
     "Pipes":           ["delta_p", "diameter"],
     "Heater":          [("duty", "outlet_T")],    # at least one of these
     "Flash":           ["P"],

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/cli/apply.py

@@ -17,6 +17,7 @@ from .common import (
     build_divergence_report,
     build_run_metadata,
     check_providers,
+    flowsheet_basename,
     load_state_manager,
     log_residual_breakdown,
     output_root,
@@ -58,7 +59,7 @@ def apply(
     # Check provider availability
     check_providers(config, flowsheet)
 
-    base_name = os.path.splitext(os.path.basename(flowsheet))[0]
+    base_name = flowsheet_basename(flowsheet)
 
     sim_cfg = config.get("simulation", {})
     mode = sim_cfg.get("mode", "steady")

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/cli/common.py

@@ -34,6 +34,10 @@ def output_root() -> str:
     return os.environ.get("PROCESSFORGE_OUTPUT_DIR", "outputs")
 
 
+def flowsheet_basename(path: str) -> str:
+    return os.path.splitext(os.path.basename(path))[0]
+
+
 def require_existing_file(path: str, label: str = "Flowsheet file") -> None:
     """Fail fast with a consistent message when an input path is missing."""
     if not os.path.exists(path):

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/cli/diagram.py

@@ -10,7 +10,7 @@ import typer
 from loguru import logger
 
 from ..utils.flowsheet_diagram import draw_flowsheet
-from .common import require_existing_file
+from .common import flowsheet_basename, require_existing_file
 
 
 def diagram(
@@ -41,7 +41,7 @@ def diagram(
     output_dir = output_dir or "diagrams"
     fmt = format or "png"
 
-    base_name = os.path.splitext(os.path.basename(flowsheet))[0]
+    base_name = flowsheet_basename(flowsheet)
 
     try:
         output_path = draw_flowsheet(

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/cli/plan.py

@@ -12,6 +12,7 @@ from ..utils.validate_flowsheet import validate_flowsheet_dict
 from ..state import StateManager
 from ..utils.mermaid_diagram import generate_mermaid
 from .common import (
+    flowsheet_basename,
     load_state_manager,
     output_root,
     require_existing_file,
@@ -89,7 +90,7 @@ def plan(
                 )
 
     # Step 6: Structural diff vs. saved state
-    base_name = os.path.splitext(os.path.basename(flowsheet))[0]
+    base_name = flowsheet_basename(flowsheet)
     outputs_dir = output_root()
     sm, state = load_state_manager(outputs_dir, base_name)
     diff = None

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/cli/run.py

@@ -14,6 +14,7 @@ from ..result import plot_results, plot_timeseries, save_results_zarr
 from ..state import StateManager
 from .common import (
     check_providers,
+    flowsheet_basename,
     output_root,
     require_existing_file,
     validate_runtime_flowsheet,
@@ -35,7 +36,7 @@ def run(
     # Check provider availability
     check_providers(config, flowsheet)
 
-    base_name = os.path.splitext(os.path.basename(flowsheet))[0]
+    base_name = flowsheet_basename(flowsheet)
     outputs_dir = output_root()
 
     sim_cfg = config.get("simulation", {})

{processforge-0.2.40 → processforge-0.3.2}/src/processforge/eo/units/pump_eo.py

@@ -35,7 +35,7 @@ class PumpEOMixin(EOUnitModelMixin):
         except ImportError as exc:
             raise ImportError("PyomoBackend requires 'pyomo'.") from exc
 
-        delta_p = self.deltaP  # type: ignore[attr-defined]
+        delta_p = self.delta_p  # type: ignore[attr-defined]
         eta = max(self.efficiency, 1e-6)  # type: ignore[attr-defined]
         dt_pump = delta_p / (_RHO * _CP * eta)  # K per (Pa / (rho*Cp*eta))
 
@@ -66,7 +66,7 @@ class PumpEOMixin(EOUnitModelMixin):
         outlet_syms: dict,
         config: dict,
     ) -> list:
-        delta_p = self.deltaP  # type: ignore[attr-defined]
+        delta_p = self.delta_p  # type: ignore[attr-defined]
         eta = max(self.efficiency, 1e-6)  # type: ignore[attr-defined]
         dt_pump = delta_p / (_RHO * _CP * eta)