processforge 0.2.20__tar.gz → 0.2.24__tar.gz

{processforge-0.2.20/src/processforge.egg-info → processforge-0.2.24}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: processforge
-Version: 0.2.20
+Version: 0.2.24
 Summary: A Python-based process simulation framework for chemical engineering applications.
 Author-email: Process Forge Team <team@processforge.dev>
 License-Expression: BSD-3-Clause
@@ -28,6 +28,12 @@ Requires-Dist: jsonschema>=4.20
 Requires-Dist: graphviz>=0.20
 Requires-Dist: pandas>=2.2
 Requires-Dist: zarr>=3.0
+Provides-Extra: api
+Requires-Dist: fastapi>=0.110; extra == "api"
+Requires-Dist: uvicorn[standard]>=0.29; extra == "api"
+Requires-Dist: boto3>=1.34; extra == "api"
+Requires-Dist: s3fs>=2024.3; extra == "api"
+Requires-Dist: pydantic>=2.0; extra == "api"
 Provides-Extra: eo
 Requires-Dist: pyomo>=6.7; extra == "eo"
 Provides-Extra: eo-casadi
@@ -58,7 +64,7 @@ Dynamic: license-file
 
 ![processforge-logo](images/processforge-logo.jpg)
 
-A Python-based process simulation framework for chemical process engineering applications.
+A Python-based process simulation framework for coupling different simulation engines.
 
 ## Table of Contents
 
@@ -178,7 +184,7 @@ uv add "processforge[modelica]"
 
 ### Command Line Interface
 
-ProcessForge provides a CLI with the following subcommands. Both `processforge` and the shorter alias `pf` are interchangeable.
+Processforge provides a CLI with the following subcommands. Both `processforge` and the shorter alias `pf` are interchangeable.
 
 #### Recommended workflow: init → plan → apply
 
@@ -260,9 +266,9 @@ Flowsheets are defined as JSON files. The `simulation.mode` field controls which
 {
   "metadata": { "name": "My Flowsheet", "version": "2.0" },
   "materials": {
-    "Water":   { "friendly_material_id": 1 },
-    "Toluene": { "friendly_material_id": 2 },
-    "Steel":   { "friendly_material_id": 3 }
+    "Water":   { "id": 1 },
+    "Toluene": { "id": 2 },
+    "Steel":   { "id": 3 }
   },
   "material_mixes": {
     "Water_Toluene_Mix": {
@@ -322,7 +328,7 @@ Rules:
 - Each component `name` in a mix must match a key in the top-level `materials` section.
 - When all component fractions are provided they must sum to 1.0.
 
-Every unit also requires a `material` integer field pointing to a `friendly_material_id` in the `materials` section (this identifies the structural material the unit is made of, separate from the fluid composition).
+Every unit also requires a `material` integer field pointing to an `id` in the `materials` section (this identifies the structural material the unit is made of, separate from the fluid composition).
 
 ### Recycle streams
 
@@ -397,84 +403,27 @@ If both the direct Newton solve and the homotopy fallback fail to converge:
 1. `latest` is automatically reverted to the previous good snapshot.
 2. A `*_divergence.json` report is written with the drifted parameters, final `||F||`, homotopy step history, and the last `x` vector for debugging.
 
-## Project Structure
 
+## Running on the cloud 
+To run a simulation on any cloud provider (AWS EC2, Google Cloud, etc.) with Docker installed:
+
+Pull the image:
 ```
-processforge/
-├── src/processforge/              # Core package
-│   ├── __init__.py               # Public API
-│   ├── flowsheet.py              # Sequential-modular solver (dynamic mode)
-│   ├── thermo.py                 # Thermodynamic calculations via CoolProp
-│   ├── result.py                 # Results export (Zarr, Excel, plotting)
-│   ├── simulate.py               # CLI entry point (init, plan, apply, run, diagram, export-*)
-│   ├── state.py                  # StateManager — versioned .pfstate snapshots, drift detection
-│   ├── solver.py                 # ODE solver interface (dynamic)
-│   ├── validate.py               # Simple schema validation
-│   ├── _schema.py                # Schema loader (importlib.resources)
-│   ├── eo/                       # Equation-oriented (EO) steady-state solver
-│   │   ├── flowsheet.py          # EOFlowsheet — build, warm-start, solve; exposes fs.converged
-│   │   ├── solver.py             # EOSolver — backend selector; solve_with_homotopy() continuation
-│   │   ├── jacobian.py           # GlobalJacobianManager — F(x), J(x)
-│   │   ├── stream_var.py         # StreamVar — per-stream variable container
-│   │   ├── mixin.py              # EOUnitModelMixin — unit residual interface
-│   │   ├── backends/             # Pluggable solver backends
-│   │   │   ├── scipy_backend.py  # Newton-Raphson + Armijo (built-in)
-│   │   │   ├── pyomo_backend.py  # Pyomo ConcreteModel + IPOPT (optional)
-│   │   │   └── casadi_backend.py # CasADi SX + rootfinder (optional)
-│   │   └── units/                # EO residual equations per unit type
-│   │       ├── pump_eo.py
-│   │       ├── valve_eo.py
-│   │       ├── strainer_eo.py
-│   │       ├── pipes_eo.py
-│   │       ├── heater_eo.py
-│   │       └── flash_eo.py
-│   ├── units/                    # Unit operation implementations
-│   │   ├── pump.py               # Pump with efficiency
-│   │   ├── valve.py              # Pressure-reducing valve
-│   │   ├── strainer.py           # Pressure drop element
-│   │   ├── pipes.py              # Pipe with friction losses
-│   │   ├── tank.py               # Well-mixed tank (dynamic ODE)
-│   │   ├── flash.py              # Isothermal flash separator
-│   │   └── heater.py             # Temperature control heater
-│   ├── modelica/                 # OMPython bridge: .mo transpiler + omc runner
-│   │   ├── transpiler.py         # transpile() — config → Modelica source
-│   │   ├── mo_writer.py          # build_model_source() — string builder
-│   │   ├── unit_equations.py     # Per-unit equation generators
-│   │   └── omc_runner.py         # compile_modelica() — OMPython validate + FMU
-│   ├── utils/                    # Utilities
-│   │   ├── validate_flowsheet.py # Schema + connectivity validation
-│   │   └── flowsheet_diagram.py  # Graphviz visualization
-│   └── schemas/                  # Bundled JSON schemas
-│       └── flowsheet_schema.json
-├── flowsheets/                    # Example flowsheet configurations
-│   ├── closed-loop-chain.json    # Dynamic recycle example
-│   └── archive/                  # Additional examples
-├── pyproject.toml                # Project configuration
-└── MANIFEST.in                   # Source distribution manifest
+docker pull ghcr.io/urjanova/processforge:latest
 ```
-
-## Dependencies
-
-Core dependencies (always installed):
-
-- **numpy** - Numerical computing
-- **scipy** - Scientific computing, ODE solvers, sparse linear algebra
-- **coolprop** - Thermodynamic property calculations
-- **matplotlib** - Plotting and visualization
-- **loguru** - Logging
-- **jsonschema** - Configuration validation
-- **graphviz** - Flowsheet diagram generation
-- **pandas** - Data manipulation
-- **openpyxl** - Excel report generation
-- **zarr** - Chunked storage for simulation outputs
-
-Optional EO solver backends:
-
-- **pyomo** ≥ 6.7 — Pyomo + IPOPT backend (`pip install "processforge[eo]"`)
-- **casadi** ≥ 3.6 — CasADi AD-based backend (`pip install "processforge[eo-casadi]"`)
-- **OMPython** ≥ 1.4 — Python API to OpenModelica compiler (`pip install "processforge[modelica]"`). Requires [OpenModelica](https://openmodelica.org) installed on the system.
-
-
+Run a simulation and map an output folder:
+
+```Bash
+  docker run -p 8080:8080 \
+    -e S3_ACCESS_KEY='XXXXXX' \
+    -e S3_SECRET_KEY='YYYYYYYYY' \
+    -e S3_ENDPOINT_URL='https://processforge-files.ams3.s3.com' \
+    -e S3_REGION_NAME='ams3' \
+    -e S3_BUCKET_NAME='Dev' \
+    ghcr.io/urjanova/processforge:latest \
+    pf-serve
+```
+(Ensure you provide your S3-compatible credentials and endpoint URL; output and results will be synced directly to the specified bucket.)
 ## Logo credit
 Google Gemini / Nano Banana
 

{processforge-0.2.20 → processforge-0.2.24}/README.md

@@ -3,7 +3,7 @@
 
 ![processforge-logo](images/processforge-logo.jpg)
 
-A Python-based process simulation framework for chemical process engineering applications.
+A Python-based process simulation framework for coupling different simulation engines.
 
 ## Table of Contents
 
@@ -123,7 +123,7 @@ uv add "processforge[modelica]"
 
 ### Command Line Interface
 
-ProcessForge provides a CLI with the following subcommands. Both `processforge` and the shorter alias `pf` are interchangeable.
+Processforge provides a CLI with the following subcommands. Both `processforge` and the shorter alias `pf` are interchangeable.
 
 #### Recommended workflow: init → plan → apply
 
@@ -205,9 +205,9 @@ Flowsheets are defined as JSON files. The `simulation.mode` field controls which
 {
   "metadata": { "name": "My Flowsheet", "version": "2.0" },
   "materials": {
-    "Water":   { "friendly_material_id": 1 },
-    "Toluene": { "friendly_material_id": 2 },
-    "Steel":   { "friendly_material_id": 3 }
+    "Water":   { "id": 1 },
+    "Toluene": { "id": 2 },
+    "Steel":   { "id": 3 }
   },
   "material_mixes": {
     "Water_Toluene_Mix": {
@@ -267,7 +267,7 @@ Rules:
 - Each component `name` in a mix must match a key in the top-level `materials` section.
 - When all component fractions are provided they must sum to 1.0.
 
-Every unit also requires a `material` integer field pointing to a `friendly_material_id` in the `materials` section (this identifies the structural material the unit is made of, separate from the fluid composition).
+Every unit also requires a `material` integer field pointing to an `id` in the `materials` section (this identifies the structural material the unit is made of, separate from the fluid composition).
 
 ### Recycle streams
 
@@ -342,84 +342,27 @@ If both the direct Newton solve and the homotopy fallback fail to converge:
 1. `latest` is automatically reverted to the previous good snapshot.
 2. A `*_divergence.json` report is written with the drifted parameters, final `||F||`, homotopy step history, and the last `x` vector for debugging.
 
-## Project Structure
 
+## Running on the cloud 
+To run a simulation on any cloud provider (AWS EC2, Google Cloud, etc.) with Docker installed:
+
+Pull the image:
 ```
-processforge/
-├── src/processforge/              # Core package
-│   ├── __init__.py               # Public API
-│   ├── flowsheet.py              # Sequential-modular solver (dynamic mode)
-│   ├── thermo.py                 # Thermodynamic calculations via CoolProp
-│   ├── result.py                 # Results export (Zarr, Excel, plotting)
-│   ├── simulate.py               # CLI entry point (init, plan, apply, run, diagram, export-*)
-│   ├── state.py                  # StateManager — versioned .pfstate snapshots, drift detection
-│   ├── solver.py                 # ODE solver interface (dynamic)
-│   ├── validate.py               # Simple schema validation
-│   ├── _schema.py                # Schema loader (importlib.resources)
-│   ├── eo/                       # Equation-oriented (EO) steady-state solver
-│   │   ├── flowsheet.py          # EOFlowsheet — build, warm-start, solve; exposes fs.converged
-│   │   ├── solver.py             # EOSolver — backend selector; solve_with_homotopy() continuation
-│   │   ├── jacobian.py           # GlobalJacobianManager — F(x), J(x)
-│   │   ├── stream_var.py         # StreamVar — per-stream variable container
-│   │   ├── mixin.py              # EOUnitModelMixin — unit residual interface
-│   │   ├── backends/             # Pluggable solver backends
-│   │   │   ├── scipy_backend.py  # Newton-Raphson + Armijo (built-in)
-│   │   │   ├── pyomo_backend.py  # Pyomo ConcreteModel + IPOPT (optional)
-│   │   │   └── casadi_backend.py # CasADi SX + rootfinder (optional)
-│   │   └── units/                # EO residual equations per unit type
-│   │       ├── pump_eo.py
-│   │       ├── valve_eo.py
-│   │       ├── strainer_eo.py
-│   │       ├── pipes_eo.py
-│   │       ├── heater_eo.py
-│   │       └── flash_eo.py
-│   ├── units/                    # Unit operation implementations
-│   │   ├── pump.py               # Pump with efficiency
-│   │   ├── valve.py              # Pressure-reducing valve
-│   │   ├── strainer.py           # Pressure drop element
-│   │   ├── pipes.py              # Pipe with friction losses
-│   │   ├── tank.py               # Well-mixed tank (dynamic ODE)
-│   │   ├── flash.py              # Isothermal flash separator
-│   │   └── heater.py             # Temperature control heater
-│   ├── modelica/                 # OMPython bridge: .mo transpiler + omc runner
-│   │   ├── transpiler.py         # transpile() — config → Modelica source
-│   │   ├── mo_writer.py          # build_model_source() — string builder
-│   │   ├── unit_equations.py     # Per-unit equation generators
-│   │   └── omc_runner.py         # compile_modelica() — OMPython validate + FMU
-│   ├── utils/                    # Utilities
-│   │   ├── validate_flowsheet.py # Schema + connectivity validation
-│   │   └── flowsheet_diagram.py  # Graphviz visualization
-│   └── schemas/                  # Bundled JSON schemas
-│       └── flowsheet_schema.json
-├── flowsheets/                    # Example flowsheet configurations
-│   ├── closed-loop-chain.json    # Dynamic recycle example
-│   └── archive/                  # Additional examples
-├── pyproject.toml                # Project configuration
-└── MANIFEST.in                   # Source distribution manifest
+docker pull ghcr.io/urjanova/processforge:latest
 ```
-
-## Dependencies
-
-Core dependencies (always installed):
-
-- **numpy** - Numerical computing
-- **scipy** - Scientific computing, ODE solvers, sparse linear algebra
-- **coolprop** - Thermodynamic property calculations
-- **matplotlib** - Plotting and visualization
-- **loguru** - Logging
-- **jsonschema** - Configuration validation
-- **graphviz** - Flowsheet diagram generation
-- **pandas** - Data manipulation
-- **openpyxl** - Excel report generation
-- **zarr** - Chunked storage for simulation outputs
-
-Optional EO solver backends:
-
-- **pyomo** ≥ 6.7 — Pyomo + IPOPT backend (`pip install "processforge[eo]"`)
-- **casadi** ≥ 3.6 — CasADi AD-based backend (`pip install "processforge[eo-casadi]"`)
-- **OMPython** ≥ 1.4 — Python API to OpenModelica compiler (`pip install "processforge[modelica]"`). Requires [OpenModelica](https://openmodelica.org) installed on the system.
-
-
+Run a simulation and map an output folder:
+
+```Bash
+  docker run -p 8080:8080 \
+    -e S3_ACCESS_KEY='XXXXXX' \
+    -e S3_SECRET_KEY='YYYYYYYYY' \
+    -e S3_ENDPOINT_URL='https://processforge-files.ams3.s3.com' \
+    -e S3_REGION_NAME='ams3' \
+    -e S3_BUCKET_NAME='Dev' \
+    ghcr.io/urjanova/processforge:latest \
+    pf-serve
+```
+(Ensure you provide your S3-compatible credentials and endpoint URL; output and results will be synced directly to the specified bucket.)
 ## Logo credit
 Google Gemini / Nano Banana
 

{processforge-0.2.20 → processforge-0.2.24}/flowsheets/closed-loop-chain.json

@@ -11,7 +11,7 @@
   },
   "materials": {
     "Benzene": {
-      "friendly_material_id": 1,
+      "id": 1,
       "density": 0.8765,
       "density_units": "g/cm3",
       "temperature": 298.15,
@@ -22,7 +22,7 @@
       ]
     },
     "Toluene": {
-      "friendly_material_id": 2,
+      "id": 2,
       "density": 0.867,
       "density_units": "g/cm3",
       "temperature": 298.15,
@@ -33,7 +33,7 @@
       ]
     },
     "Steel": {
-      "friendly_material_id": 3,
+      "id": 3,
       "density": 7.85,
       "density_units": "g/cm3",
       "depletable": false,
@@ -162,7 +162,7 @@
     }
   },
   "simulation": {
-    "mode": "steady",
+    "mode": "dynamic",
     "t0": 0.0,
     "tf": 20.0,
     "dt": 1.0

processforge-0.2.24/flowsheets/festim/festim_2d.json

@@ -0,0 +1,54 @@
+{
+  "metadata": {
+    "name": "Festim 2D Heat and Hydrogen Transport",
+    "description": "2D unit square — coupled heat transfer + H transport with a trap, matching simple_2D.py",
+    "version": "1.0"
+  },
+  "providers": {
+    "festim": {
+      "type": "festim",
+      "output_dir": "outputs/festim_2d"
+    }
+  },
+  "materials": {
+    "tungsten_2d": {
+      "id": 10,
+      "D_0": 4.1e-7,
+      "E_D": 0.39,
+      "thermal_cond": "3 + 0.1 * T"
+    }
+  },
+  "streams": {},
+  "units": {
+    "festim_solver": {
+      "type": "SolverUnit",
+      "provider": "festim",
+      "sim_type": "heat_2d",
+      "material": 10,
+      "solver_config": {
+        "mesh": { "nx": 20, "ny": 20 },
+        "transient": false,
+        "boundary_conditions": [
+          { "type": "DirichletBC", "field": "T",  "value": 300,   "surfaces": 1 },
+          { "type": "ConvectiveFlux", "h_coeff": 10, "T_ext": 650, "surfaces": 2 },
+          { "type": "FluxBC",        "field": "T",  "value": 0,    "surfaces": 3 },
+          { "type": "DirichletBC",   "field": 0,    "value": 1e19, "surfaces": 1 }
+        ],
+        "sources": [
+          { "value": 1000, "volume": 1, "field": "T" }
+        ],
+        "traps": [
+          { "k_0": 3.8e-17, "E_k": 0.39, "p_0": 8.4e12, "E_p": 0.9, "density": 1e25 }
+        ],
+        "exports": [
+          { "field": "solute" },
+          { "field": "retention" },
+          { "field": "T" }
+        ]
+      }
+    }
+  },
+  "simulation": {
+    "mode": "steady"
+  }
+}

processforge-0.2.24/flowsheets/festim/festim_dynamic_loop.json

@@ -0,0 +1,52 @@
+{
+  "metadata": {
+    "name": "Festim Dynamic Loop",
+    "description": "A closed loop to test dynamic H2 depletion via a Festim membrane.",
+    "version": "1.0"
+  },
+  "providers": {
+    "festim": {
+      "type": "festim"
+    }
+  },
+  "materials": {
+    "H2": {
+      "id": 1
+    },
+    "tungsten": {
+      "id": 3,
+      "D_0": 4.1e-7,
+      "E_D": 0.39,
+      "S_0": 4.28e-5,
+      "E_S": 0.26
+    }
+  },
+  
+  "streams": {
+    "feed": {
+      "T": 300.0,
+      "P": 1000000,
+      "flowrate": 0.1,
+      "z": { "H2": 1.0 }
+    }
+  },
+  "units": {
+    "membrane": {
+      "type": "FestimMembrane",
+      "provider": "festim",
+      "in": "feed",
+      "retentate_out": "recycle",
+      "permeate_out": "waste",
+      "thickness": 0.005,
+      "mesh_cells": 50,
+      "area": 10.0,
+      "material": 3
+    }
+  },
+  "simulation": {
+    "mode": "dynamic",
+    "t0": 0.0,
+    "tf": 10.0,
+    "dt": 1.0
+  }
+}

{processforge-0.2.20 → processforge-0.2.24}/flowsheets/hydraulic-chain.json

@@ -11,13 +11,13 @@
   },
   "materials": {
     "Water": {
-      "friendly_material_id": 1
+      "id": 1
     },
     "Toluene": {
-      "friendly_material_id": 2
+      "id": 2
     },
     "Steel": {
-      "friendly_material_id": 3
+      "id": 3
     }
   },
   "material_mixes": {
@@ -89,7 +89,7 @@
       "type": "Pump",
       "in": "after_pipe_3",
       "out": "after_pump_2",
-      "deltaP": 300000.0,
+      "deltaP": 200000.0,
       "efficiency": 0.8,
       "material": 3
     },

processforge-0.2.24/flowsheets/openmc/msre_eigenvalue.json

@@ -0,0 +1,117 @@
+{
+  "metadata": {
+    "name": "MSRE Eigenvalue — DAGMC geometry",
+    "description": "Molten Salt Reactor Experiment eigenvalue simulation. Replicates openmc.py reference script. DAGMC geometry loaded from .h5m file. 7 materials matching h5m volume tags: graphite, inor, salt, inconel, helium, Graveyard, helium_comp.",
+    "version": "1.1"
+  },
+  "providers": {
+    "openmc": {
+      "type": "openmc",
+      "output_dir": "outputs/openmc/msre_run",
+      "cross_sections": "tmp_files/cross_sections/cross_sections.xml"
+    }
+  },
+  "materials": {
+    "graphite": {
+      "id": 1,
+      "density": 2.26,
+      "density_units": "g/cm3",
+      "temperature": 0.0,
+      "elements": [
+        { "element": "C", "percent": 1.0, "percent_type": "ao" }
+      ]
+    },
+    "inor": {
+      "id": 2,
+      "density": 9.0,
+      "density_units": "g/cm3",
+      "temperature": 0.0,
+      "elements": [
+        { "element": "Ni", "percent": 0.72, "percent_type": "wo" },
+        { "element": "Mo", "percent": 0.16, "percent_type": "wo" },
+        { "element": "Cr", "percent": 0.07, "percent_type": "wo" },
+        { "element": "Fe", "percent": 0.05, "percent_type": "wo" }
+      ]
+    },
+    "salt": {
+      "id": 3,
+      "density": 2.2,
+      "density_units": "g/cm3",
+      "temperature": 0.0,
+      "depletable": true,
+      "nuclides": [
+        { "name": "Li7",  "percent": 0.335000, "percent_type": "ao" },
+        { "name": "U235", "percent": 0.000527, "percent_type": "ao" },
+        { "name": "U238", "percent": 0.001053, "percent_type": "ao" }
+      ],
+      "elements": [
+        { "element": "F",  "percent": 0.534653, "percent_type": "ao" },
+        { "element": "Be", "percent": 0.076667, "percent_type": "ao" },
+        { "element": "Zr", "percent": 0.010000, "percent_type": "ao" }
+      ]
+    },
+    "inconel": {
+      "id": 4,
+      "density": 8.9,
+      "density_units": "g/cm3",
+      "temperature": 0.0,
+      "elements": [
+        { "element": "Ni", "percent": 0.72, "percent_type": "ao" },
+        { "element": "Cr", "percent": 0.20, "percent_type": "ao" },
+        { "element": "Fe", "percent": 0.08, "percent_type": "ao" }
+      ]
+    },
+    "helium": {
+      "id": 5,
+      "density": 1.0e-4,
+      "density_units": "g/cm3",
+      "temperature": 0.0,
+      "nuclides": [
+        { "name": "He4", "percent": 1.0, "percent_type": "ao" }
+      ]
+    }
+    
+  },
+  "streams": {},
+  "units": {
+    "openmc_solver": {
+      "type": "SolverUnit",
+      "provider": "openmc",
+      "material":3,
+      "sim_type": "eigenvalue_dagmc",
+      "solver_config": {
+        "dagmc_path": "/home/hrishiballal/Documents/Github/urjanova/processforge/tmp_files/geometry/msre_simple.h5m",
+        "batches": 20,
+        "inactive": 5,
+        "particles": 20000,
+        "run_mode": "eigenvalue",
+        "source_box": {
+          "lower_left":  [-125, -125,   0],
+          "upper_right": [ 125,  125, 500],
+          "only_fissionable": true
+        },
+        "mesh_tallies": [
+          {
+            "tally_id": 1,
+            "name": "flux1",
+            "lower_left":  [-125, -125,  90],
+            "upper_right": [ 125,  125, 110],
+            "dimension": [400, 400, 1],
+            "scores": ["flux", "fission"]
+          },
+          {
+            "tally_id": 2,
+            "name": "flux2",
+            "lower_left":  [-175, -10, -50],
+            "upper_right": [ 175,  10, 400],
+            "dimension": [400, 1, 400],
+            "scores": ["flux", "fission"]
+          }
+        ]
+      }
+    }
+  },
+  "simulation": {
+    "mode": "steady"
+  }
+}

{processforge-0.2.20 → processforge-0.2.24}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "processforge"
-version = "0.2.20"
+version = "0.2.24"
 description = "A Python-based process simulation framework for chemical engineering applications."
 readme = "README.md"
 license = "BSD-3-Clause"
@@ -37,6 +37,13 @@ dependencies = [
 ]
 
 [project.optional-dependencies]
+api = [
+    "fastapi>=0.110",
+    "uvicorn[standard]>=0.29",
+    "boto3>=1.34",
+    "s3fs>=2024.3",
+    "pydantic>=2.0",
+]
 eo = [
     "pyomo>=6.7",
 ]
@@ -77,6 +84,7 @@ Issues = "https://github.com/urjanova/processforge/issues"
 [project.scripts]
 processforge = "processforge.simulate:main"
 pf = "processforge.simulate:main"
+pf-serve = "processforge.api.serve:main"
 
 [tool.setuptools.packages.find]
 where = ["src"]

{processforge-0.2.20 → processforge-0.2.24}/src/processforge/__init__.py

@@ -1,5 +1,5 @@
 """
-ProcessForge - A Python process simulation framework for chemical engineering.
+Processforge - A Python process simulation framework for chemical engineering.
 
 Provides steady-state and dynamic process simulation capabilities including:
 - Flowsheet modeling with recycle loop support
@@ -14,7 +14,7 @@ from .flowsheet import Flowsheet
 from .provenance import build_run_info
 from .solver import Solver
 from .thermo import get_enthalpy_molar, get_Cp_molar, get_K_values, rachford_rice
-from .validate import validate_flowsheet
+from .utils.validate_flowsheet import validate_flowsheet
 from .result import (
     plot_results,
     plot_timeseries,

processforge-0.2.24/src/processforge/__main__.py

@@ -0,0 +1,7 @@
+"""Module entry point for ``python -m processforge``."""
+
+from .simulate import main
+
+
+if __name__ == "__main__":
+    main()