processforge 0.3.5__tar.gz → 0.3.9__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (122) hide show
  1. {processforge-0.3.5/src/processforge.egg-info → processforge-0.3.9}/PKG-INFO +4 -1
  2. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/openmc/msre_eigenvalue.json +5 -5
  3. {processforge-0.3.5 → processforge-0.3.9}/pyproject.toml +5 -1
  4. processforge-0.3.9/src/processforge/api/serve.py +94 -0
  5. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/__init__.py +1 -1
  6. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/apply.py +2 -1
  7. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/common.py +45 -0
  8. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/display.py +55 -0
  9. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/init.py +100 -16
  10. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/plan.py +11 -3
  11. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/run.py +2 -0
  12. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/compose.py +20 -8
  13. processforge-0.3.9/src/processforge/lock.py +74 -0
  14. processforge-0.3.9/src/processforge/utils/__init__.py +0 -0
  15. {processforge-0.3.5 → processforge-0.3.9/src/processforge.egg-info}/PKG-INFO +4 -1
  16. {processforge-0.3.5 → processforge-0.3.9}/src/processforge.egg-info/SOURCES.txt +2 -0
  17. {processforge-0.3.5 → processforge-0.3.9}/src/processforge.egg-info/requires.txt +4 -0
  18. {processforge-0.3.5 → processforge-0.3.9}/tests/test_cli.py +42 -0
  19. {processforge-0.3.5 → processforge-0.3.9}/tests/test_init.py +32 -14
  20. processforge-0.3.5/src/processforge/lock.py +0 -41
  21. {processforge-0.3.5 → processforge-0.3.9}/LICENSE +0 -0
  22. {processforge-0.3.5 → processforge-0.3.9}/MANIFEST.in +0 -0
  23. {processforge-0.3.5 → processforge-0.3.9}/README.md +0 -0
  24. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/closed-loop-chain.json +0 -0
  25. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/custom/crimson/MUWS_HB.json +0 -0
  26. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/custom/simple_hyrdaulic_scheme.json +0 -0
  27. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/festim/hydrogen_transport_1d.json +0 -0
  28. {processforge-0.3.5 → processforge-0.3.9}/flowsheets/hydraulic-chain.json +0 -0
  29. {processforge-0.3.5 → processforge-0.3.9}/setup.cfg +0 -0
  30. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/__init__.py +0 -0
  31. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/__main__.py +0 -0
  32. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/_schema.py +0 -0
  33. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/analysis/__init__.py +0 -0
  34. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/analysis/dof.py +0 -0
  35. {processforge-0.3.5/src/processforge/utils → processforge-0.3.9/src/processforge/api}/__init__.py +0 -0
  36. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/diagram.py +0 -0
  37. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/export_fmu.py +0 -0
  38. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/export_modelica.py +0 -0
  39. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/cli/validate.py +0 -0
  40. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/__init__.py +0 -0
  41. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/backends/__init__.py +0 -0
  42. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/backends/base.py +0 -0
  43. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/backends/casadi_backend.py +0 -0
  44. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/backends/pyomo_backend.py +0 -0
  45. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/backends/scipy_backend.py +0 -0
  46. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/flowsheet.py +0 -0
  47. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/jacobian.py +0 -0
  48. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/mixin.py +0 -0
  49. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/solver.py +0 -0
  50. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/stream_var.py +0 -0
  51. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/__init__.py +0 -0
  52. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/flash_eo.py +0 -0
  53. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/heater_eo.py +0 -0
  54. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/pipes_eo.py +0 -0
  55. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/pump_eo.py +0 -0
  56. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/strainer_eo.py +0 -0
  57. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/eo/units/valve_eo.py +0 -0
  58. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/flowsheet.py +0 -0
  59. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/fmu/__init__.py +0 -0
  60. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/fmu/_fmi_vars.py +0 -0
  61. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/fmu/builder.py +0 -0
  62. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/fmu/slave_template.py +0 -0
  63. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/modelica/__init__.py +0 -0
  64. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/modelica/mo_writer.py +0 -0
  65. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/modelica/omc_runner.py +0 -0
  66. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/modelica/transpiler.py +0 -0
  67. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/modelica/unit_equations.py +0 -0
  68. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/pcl/__init__.py +0 -0
  69. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/pcl/compiler.py +0 -0
  70. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/pcl/namespace.py +0 -0
  71. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/provenance.py +0 -0
  72. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/__init__.py +0 -0
  73. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/base.py +0 -0
  74. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/base_jacobian_mixin.py +0 -0
  75. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/cantera_jacobian.py +0 -0
  76. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/cantera_provider.py +0 -0
  77. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/container_client.py +0 -0
  78. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/coolprop_provider.py +0 -0
  79. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/festim_provider.py +0 -0
  80. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/jacobian_contributor.py +0 -0
  81. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/manager.py +0 -0
  82. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/modelica_jacobian.py +0 -0
  83. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/modelica_provider.py +0 -0
  84. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/openmc_provider.py +0 -0
  85. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/reference_state_registry.py +0 -0
  86. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/providers/registry.py +0 -0
  87. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/result.py +0 -0
  88. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/result_schema.py +0 -0
  89. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/schemas/__init__.py +0 -0
  90. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/schemas/flowsheet_schema.json +0 -0
  91. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/schemas/openmc/openmc_model.py +0 -0
  92. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/simulate.py +0 -0
  93. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/solver.py +0 -0
  94. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/state.py +0 -0
  95. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/thermo.py +0 -0
  96. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/types.py +0 -0
  97. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/__init__.py +0 -0
  98. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/base.py +0 -0
  99. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/cstr.py +0 -0
  100. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/flash.py +0 -0
  101. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/heater.py +0 -0
  102. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/pfr.py +0 -0
  103. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/pipes.py +0 -0
  104. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/pump.py +0 -0
  105. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/registry.py +0 -0
  106. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/solver_unit.py +0 -0
  107. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/strainer.py +0 -0
  108. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/tank.py +0 -0
  109. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/units/valve.py +0 -0
  110. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/flowsheet_diagram.py +0 -0
  111. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/mermaid_diagram.py +0 -0
  112. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/topology.py +0 -0
  113. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/unit_consistency.py +0 -0
  114. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/validate_flowsheet.py +0 -0
  115. {processforge-0.3.5 → processforge-0.3.9}/src/processforge/utils/validation.py +0 -0
  116. {processforge-0.3.5 → processforge-0.3.9}/src/processforge.egg-info/dependency_links.txt +0 -0
  117. {processforge-0.3.5 → processforge-0.3.9}/src/processforge.egg-info/entry_points.txt +0 -0
  118. {processforge-0.3.5 → processforge-0.3.9}/src/processforge.egg-info/top_level.txt +0 -0
  119. {processforge-0.3.5 → processforge-0.3.9}/tests/test_festim_provider.py +0 -0
  120. {processforge-0.3.5 → processforge-0.3.9}/tests/test_providers.py +0 -0
  121. {processforge-0.3.5 → processforge-0.3.9}/tests/test_state.py +0 -0
  122. {processforge-0.3.5 → processforge-0.3.9}/tests/test_types.py +0 -0
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: processforge
3
- Version: 0.3.5
3
+ Version: 0.3.9
4
4
  Summary: A Python-based process simulation framework for chemical engineering applications.
5
5
  Author-email: Processforge Team <team@processforge.dev>
6
6
  License-Expression: BSD-3-Clause
@@ -30,6 +30,9 @@ Requires-Dist: pandas>=2.2
30
30
  Requires-Dist: zarr>=3.0
31
31
  Requires-Dist: coolprop>=7.2.0
32
32
  Requires-Dist: typer>=0.12
33
+ Provides-Extra: api
34
+ Requires-Dist: fastapi>=0.110; extra == "api"
35
+ Requires-Dist: uvicorn>=0.29; extra == "api"
33
36
  Provides-Extra: eo
34
37
  Requires-Dist: pyomo>=6.7; extra == "eo"
35
38
  Provides-Extra: eo-casadi
@@ -17,7 +17,7 @@
17
17
  "id": 1,
18
18
  "density": 2.26,
19
19
  "density_units": "g/cm3",
20
- "temperature": 0.0,
20
+ "temperature": 300.0,
21
21
  "elements": [
22
22
  { "element": "C", "percent": 1.0, "percent_type": "ao" }
23
23
  ]
@@ -26,7 +26,7 @@
26
26
  "id": 2,
27
27
  "density": 9.0,
28
28
  "density_units": "g/cm3",
29
- "temperature": 0.0,
29
+ "temperature": 400.0,
30
30
  "elements": [
31
31
  { "element": "Ni", "percent": 0.72, "percent_type": "wo" },
32
32
  { "element": "Mo", "percent": 0.16, "percent_type": "wo" },
@@ -38,7 +38,7 @@
38
38
  "id": 3,
39
39
  "density": 2.2,
40
40
  "density_units": "g/cm3",
41
- "temperature": 0.0,
41
+ "temperature": 300.0,
42
42
  "depletable": true,
43
43
  "nuclides": [
44
44
  { "name": "Li7", "percent": 0.335000, "percent_type": "ao" },
@@ -55,7 +55,7 @@
55
55
  "id": 4,
56
56
  "density": 8.9,
57
57
  "density_units": "g/cm3",
58
- "temperature": 0.0,
58
+ "temperature": 300.0,
59
59
  "elements": [
60
60
  { "element": "Ni", "percent": 0.72, "percent_type": "ao" },
61
61
  { "element": "Cr", "percent": 0.20, "percent_type": "ao" },
@@ -66,7 +66,7 @@
66
66
  "id": 5,
67
67
  "density": 1.0e-4,
68
68
  "density_units": "g/cm3",
69
- "temperature": 0.0,
69
+ "temperature": 300.0,
70
70
  "nuclides": [
71
71
  { "name": "He4", "percent": 1.0, "percent_type": "ao" }
72
72
  ]
@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
4
4
 
5
5
  [project]
6
6
  name = "processforge"
7
- version = "0.3.5"
7
+ version = "0.3.9"
8
8
  description = "A Python-based process simulation framework for chemical engineering applications."
9
9
  readme = "README.md"
10
10
  license = "BSD-3-Clause"
@@ -39,6 +39,10 @@ dependencies = [
39
39
  ]
40
40
 
41
41
  [project.optional-dependencies]
42
+ api = [
43
+ "fastapi>=0.110",
44
+ "uvicorn>=0.29",
45
+ ]
42
46
  eo = [
43
47
  "pyomo>=6.7",
44
48
  ]
@@ -0,0 +1,94 @@
1
+ """Processforge provider HTTP API.
2
+
3
+ Run as a module so deployment platforms that execute
4
+ ``python -m processforge.api.serve`` can boot the server directly::
5
+
6
+ python -m processforge.api.serve
7
+
8
+ The listen port is taken from the ``PORT`` environment variable
9
+ (default ``9000``), and the provider type from ``PROVIDER_TYPE``.
10
+ """
11
+
12
+ from __future__ import annotations
13
+
14
+ import os
15
+ import traceback
16
+
17
+ from fastapi import FastAPI, HTTPException
18
+
19
+ app = FastAPI(title="Processforge Provider")
20
+
21
+ PROVIDER_TYPE = os.environ.get("PROVIDER_TYPE", "")
22
+ DEFAULT_PORT = int(os.environ.get("PORT", "9000"))
23
+
24
+
25
+ @app.get("/health")
26
+ def health():
27
+ return {
28
+ "status": "ready",
29
+ "provider_type": PROVIDER_TYPE,
30
+ }
31
+
32
+
33
+ @app.post("/run")
34
+ def run(body: dict):
35
+ from processforge.types import UnitConfig, MaterialDef
36
+
37
+ try:
38
+ unit_cfg = UnitConfig.from_dict(body["unit_config"])
39
+ except Exception as exc:
40
+ raise HTTPException(status_code=400, detail=f"Invalid unit_config: {exc}") from exc
41
+
42
+ materials_raw = body.get("materials", {})
43
+ materials = {
44
+ name: MaterialDef.from_dict(mat)
45
+ for name, mat in materials_raw.items()
46
+ }
47
+
48
+ from processforge.providers.registry import get_provider_class
49
+
50
+ try:
51
+ provider_cls = get_provider_class(PROVIDER_TYPE)
52
+ except ValueError as exc:
53
+ raise HTTPException(status_code=400, detail=str(exc)) from exc
54
+
55
+ provider = provider_cls()
56
+
57
+ # Build the provider config for initialize(). Prefer the real config the
58
+ # CLI serialised into the request body (carries cross_sections, output_dir,
59
+ # url, …); fall back to a minimal container-default config otherwise.
60
+ provider_config_raw = body.get("provider_config")
61
+ if provider_config_raw:
62
+ from processforge.types import provider_config_from_dict
63
+
64
+ provider_config = provider_config_from_dict(provider_config_raw)
65
+ else:
66
+ provider_config = type("Cfg", (), {
67
+ "url": None,
68
+ "output_dir": os.environ.get("PROCESSFORGE_OUTPUT_DIR", "/data"),
69
+ "cross_sections": None,
70
+ "type": PROVIDER_TYPE,
71
+ })()
72
+
73
+ # Build a minimal flowsheet config holding materials.
74
+ flowsheet_config = type("FS", (), {"materials": materials})()
75
+
76
+ try:
77
+ provider.initialize(provider_config, flowsheet_config)
78
+ result = provider.run_simulation(unit_cfg, body.get("inlet", {}))
79
+ return result.as_dict() | {"metadata": result.metadata}
80
+ except HTTPException:
81
+ raise
82
+ except Exception as exc:
83
+ raise HTTPException(
84
+ status_code=500,
85
+ detail=f"Simulation failed: {exc}\n{traceback.format_exc()}",
86
+ ) from exc
87
+ finally:
88
+ provider.teardown()
89
+
90
+
91
+ if __name__ == "__main__":
92
+ import uvicorn
93
+
94
+ uvicorn.run(app, host="0.0.0.0", port=DEFAULT_PORT)
@@ -31,7 +31,7 @@ def register_commands(app: typer.Typer) -> None:
31
31
  )(apply)
32
32
  app.command(
33
33
  "plan",
34
- help="Validate a flowsheet, run DOF analysis, structural diff, and generate a Mermaid diagram",
34
+ help="Validate a flowsheet, run DOF analysis, structural diff, container health check, and generate a Mermaid diagram",
35
35
  )(plan)
36
36
  app.command("diagram", help="Generate a flowsheet diagram")(diagram)
37
37
  app.command(
@@ -17,6 +17,7 @@ from .common import (
17
17
  build_divergence_report,
18
18
  build_run_metadata,
19
19
  check_providers,
20
+ display_backend,
20
21
  flowsheet_basename,
21
22
  load_state_manager,
22
23
  log_residual_breakdown,
@@ -132,7 +133,7 @@ def apply(
132
133
  logger.info(" Status : CONVERGED")
133
134
  logger.info(f" Final ||F|| : {fs.solver_stats.get('final_norm', '?'):.3e}")
134
135
  logger.info(f" Iterations : {fs.solver_stats.get('iterations', '?')}")
135
- logger.info(f" Backend : {fs.backend}")
136
+ logger.info(f" Backend : {display_backend(config, fs.backend)}")
136
137
  logger.info(f" Snapshot ID : {snapshot_id}")
137
138
  logger.info(f" Results zarr : {zarr_path}")
138
139
  logger.info(f" Elapsed (s) : {elapsed:.2f}")
@@ -98,6 +98,23 @@ def build_run_metadata(config: dict, solver_tol: float, solver_max_iter: int, ba
98
98
  }
99
99
 
100
100
 
101
+ def display_backend(config: dict, eo_backend: str) -> str:
102
+ """Resolve the backend label shown in run/apply summaries.
103
+
104
+ When a flowsheet delegates its computation to one or more providers
105
+ (e.g. ``openmc``, ``cantera``), the provider type is the engine that
106
+ actually ran the simulation — report that rather than the EO solver
107
+ backend (which is a no-op for provider-driven flowsheets). Falls back
108
+ to the EO solver backend when no providers are declared.
109
+ """
110
+ provider_types = sorted(
111
+ {p.get("type") for p in config.get("providers", {}).values() if p.get("type")}
112
+ )
113
+ if provider_types:
114
+ return "+".join(provider_types)
115
+ return eo_backend
116
+
117
+
101
118
  def extract_providers(flowsheet_path: str) -> dict:
102
119
  """Read flowsheet JSON and return the raw providers dict."""
103
120
  try:
@@ -128,6 +145,21 @@ def load_state_manager(outputs_dir: str, base_name: str) -> tuple[StateManager,
128
145
  # Provider checking
129
146
  # ---------------------------------------------------------------------------
130
147
 
148
+ def is_local_provider_url(url: str | None) -> bool:
149
+ """Return True if *url* points at a locally-managed provider.
150
+
151
+ A provider is considered local — and thus a candidate for ``pf init`` to
152
+ generate docker-compose and pull its image — when it has no explicit URL
153
+ or its URL points at localhost / 127.0.0.1 / 0.0.0.0. Any other URL is
154
+ treated as an externally-managed (cloud / remote) provider that
155
+ ``pf init`` must not try to spin up or pull an image for.
156
+ """
157
+ if not url:
158
+ return True
159
+ lowered = url.lower()
160
+ return any(token in lowered for token in ("localhost", "127.0.0.1", "0.0.0.0"))
161
+
162
+
131
163
  def _resolve_provider_url(cfg: dict, ptype: str) -> str:
132
164
  """Build the provider URL, falling back to the default port."""
133
165
  from ..providers.registry import get_provider_default_port
@@ -139,6 +171,19 @@ def _resolve_provider_url(cfg: dict, ptype: str) -> str:
139
171
  return url
140
172
 
141
173
 
174
+ def _ping_provider_health(url: str, timeout: int = 5) -> tuple[bool, "dict | str"]:
175
+ """GET ``{url}/health`` and return ``(ok, payload_or_error)``.
176
+
177
+ Returns the parsed JSON health payload on success, or the error string on
178
+ failure (unreachable service, timeout, or non-JSON response).
179
+ """
180
+ try:
181
+ with urllib.request.urlopen(f"{url.rstrip('/')}/health", timeout=timeout) as resp:
182
+ return True, json.loads(resp.read().decode())
183
+ except (urllib.error.URLError, OSError, TimeoutError, ValueError) as exc:
184
+ return False, str(exc)
185
+
186
+
142
187
  def check_providers(
143
188
  config: dict,
144
189
  flowsheet_path: str,
@@ -53,6 +53,61 @@ def print_unit_mismatches(mismatches: list[Any]) -> None:
53
53
  logger.warning(f"Unit annotation — stream '{m.stream_name}'.{m.property_name}: {m.message}")
54
54
 
55
55
 
56
+ def print_provider_health(config: dict) -> list[str]:
57
+ """Log per-provider reachability for flowsheets using Docker containers.
58
+
59
+ For each provider declared in *config*:
60
+
61
+ * containerized providers are probed via ``GET /health`` and reported with
62
+ their URL, ``status``, and ``provider_type`` from the health payload;
63
+ * pip-installable providers are reported as importable or not.
64
+
65
+ Returns a list of failure messages — one per unreachable containerized
66
+ provider (empty means every provider is healthy/available).
67
+ """
68
+ import importlib
69
+
70
+ from ..providers.registry import is_containerized, _PROVIDER_CATALOG
71
+
72
+ providers = config.get("providers", {})
73
+ logger.info("=== Provider / Container Health ===")
74
+ failures: list[str] = []
75
+ if not providers:
76
+ logger.info(" No providers declared.")
77
+ return failures
78
+
79
+ for name, cfg in providers.items():
80
+ ptype = cfg.get("type", "")
81
+ if is_containerized(ptype):
82
+ from .common import _resolve_provider_url, _ping_provider_health
83
+
84
+ url = _resolve_provider_url(cfg, ptype)
85
+ ok, info = _ping_provider_health(url, timeout=5)
86
+ if ok:
87
+ payload = info if isinstance(info, dict) else {}
88
+ status = payload.get("status", "?")
89
+ provider_type = payload.get("provider_type", "?")
90
+ logger.info(
91
+ f" [OK] {name} [{ptype}] {url} — status={status} provider_type={provider_type}"
92
+ )
93
+ else:
94
+ msg = f" [ERR] {name} [{ptype}] {url} — unreachable: {info}"
95
+ logger.error(msg)
96
+ failures.append(f"Provider '{name}' unreachable at {url}: {info}")
97
+ else:
98
+ catalog = _PROVIDER_CATALOG.get(ptype, {})
99
+ module = catalog.get("module", "")
100
+ try:
101
+ importlib.util.find_spec(module)
102
+ logger.info(f" [OK] {name} [{ptype}] (pip — importable)")
103
+ except (ModuleNotFoundError, ValueError):
104
+ dep = catalog.get("optional_dep")
105
+ hint = f"pip install 'processforge[{dep}]'" if dep else "built-in"
106
+ logger.warning(f" [WARN] {name} [{ptype}] — not installed ({hint})")
107
+
108
+ return failures
109
+
110
+
56
111
  def print_structural_diff(diff: dict) -> None:
57
112
  """Print a +/~/- structural diff of units."""
58
113
  logger.info("=== Structural Diff vs. Saved State ===")
@@ -11,7 +11,56 @@ import subprocess
11
11
  import typer
12
12
  from loguru import logger
13
13
 
14
- from .common import extract_providers
14
+ from .common import extract_providers, is_local_provider_url
15
+ from ..lock import flowsheet_env_dir, read_lock
16
+
17
+
18
+ def _migrate_legacy_env(pf_dir: str) -> None:
19
+ """Move a legacy root-level lock.json / docker-compose.yml into a per-flowsheet dir.
20
+
21
+ Older processforge stored a single environment at ``.processforge/lock.json``
22
+ and ``.processforge/docker-compose.yml``. This relocates those into the hashed
23
+ env dir derived from the flowsheet recorded in the legacy lock, so an existing
24
+ repo keeps its provider environment after upgrading.
25
+ """
26
+ legacy_lock = os.path.join(pf_dir, "lock.json")
27
+ legacy_compose = os.path.join(pf_dir, "docker-compose.yml")
28
+ if not (os.path.exists(legacy_lock) or os.path.exists(legacy_compose)):
29
+ return
30
+
31
+ recorded = None
32
+ if os.path.exists(legacy_lock):
33
+ try:
34
+ recorded = read_lock(pf_dir).get("flowsheet")
35
+ except Exception:
36
+ recorded = None
37
+
38
+ if recorded and os.path.exists(recorded):
39
+ env_dir = flowsheet_env_dir(pf_dir, recorded)
40
+ else:
41
+ base = os.path.splitext(os.path.basename(recorded or "legacy"))[0] or "legacy"
42
+ env_dir = os.path.join(pf_dir, base)
43
+ logger.warning(
44
+ "Migrating legacy .processforge/lock.json + docker-compose.yml into "
45
+ f"'{os.path.relpath(env_dir, pf_dir)}/' (recorded flowsheet not found on "
46
+ "disk — re-run `pf init <flowsheet.json>` to restore the correct env dir)."
47
+ )
48
+
49
+ if os.path.exists(env_dir):
50
+ logger.warning(
51
+ f"Migration target {os.path.relpath(env_dir, pf_dir)}/ already exists — "
52
+ "skipping legacy migration."
53
+ )
54
+ return
55
+
56
+ os.makedirs(env_dir, exist_ok=True)
57
+ for src in (legacy_lock, legacy_compose):
58
+ if os.path.exists(src):
59
+ shutil.move(src, os.path.join(env_dir, os.path.basename(src)))
60
+ logger.info(
61
+ "Migrated legacy .processforge/ environment into per-flowsheet dir "
62
+ f"'{os.path.relpath(env_dir, pf_dir)}/'."
63
+ )
15
64
 
16
65
 
17
66
  def init(
@@ -42,6 +91,11 @@ def init(
42
91
  os.makedirs(pf_dir, exist_ok=True)
43
92
  os.makedirs(outputs_dir, exist_ok=True)
44
93
 
94
+ # Migrate a legacy single-environment layout (.processforge/lock.json and
95
+ # .processforge/docker-compose.yml at the root) into a per-flowsheet env
96
+ # dir so existing repos aren't silently broken by the new structure.
97
+ _migrate_legacy_env(pf_dir)
98
+
45
99
  # Remove stale .pfstate snapshot directories from outputs/
46
100
  stale_count = 0
47
101
  for entry in os.listdir(outputs_dir):
@@ -84,21 +138,32 @@ def init(
84
138
 
85
139
  # Categorize providers
86
140
  pip_providers: dict[str, dict] = {}
87
- docker_providers: dict[str, dict] = {}
141
+ local_docker_providers: dict[str, dict] = {}
142
+ remote_docker_providers: dict[str, dict] = {}
88
143
  for name, cfg in providers.items():
89
144
  ptype = cfg.get("type", "")
90
145
  if is_containerized(ptype):
91
146
  url = cfg.get("url")
92
- if not url:
147
+ if is_local_provider_url(url):
93
148
  port = get_provider_default_port(ptype) or 9000
94
- url = f"http://localhost:{port}"
95
- docker_providers[name] = {
96
- "type": ptype,
97
- "url": url,
98
- "docker_image": cfg.get("docker_image") or get_provider_docker_image(ptype),
99
- "port": get_provider_default_port(ptype),
100
- }
101
- logger.info(f" {name}: type={ptype}, url={url} (Docker)")
149
+ if not url:
150
+ url = f"http://localhost:{port}"
151
+ local_docker_providers[name] = {
152
+ "type": ptype,
153
+ "url": url,
154
+ "docker_image": cfg.get("docker_image") or get_provider_docker_image(ptype),
155
+ "port": port,
156
+ }
157
+ logger.info(f" {name}: type={ptype}, url={url} (Docker, local)")
158
+ else:
159
+ remote_docker_providers[name] = {
160
+ "type": ptype,
161
+ "url": url,
162
+ "docker_image": cfg.get("docker_image") or get_provider_docker_image(ptype),
163
+ }
164
+ logger.info(
165
+ f" {name}: type={ptype}, url={url} (Docker, remote — skipping compose)"
166
+ )
102
167
  else:
103
168
  pip_providers[name] = {"type": ptype}
104
169
  logger.info(f" {name}: type={ptype} (pip)")
@@ -116,15 +181,19 @@ def init(
116
181
  hint = f"pip install 'processforge[{dep}]'" if dep else "built-in"
117
182
  logger.warning(f" {name} — not installed. Install with: {hint}")
118
183
 
119
- # Generate compose for Docker providers
120
- if docker_providers:
121
- compose_path = os.path.join(pf_dir, "docker-compose.yml")
184
+ # Generate compose + pull images only for locally-managed Docker providers.
185
+ # Providers with an explicit remote URL are assumed to be running elsewhere
186
+ # (e.g. a cloud deployment of the ghcr.io image) and are not touched here.
187
+ if local_docker_providers:
188
+ compose_path = os.path.join(
189
+ flowsheet_env_dir(pf_dir, flowsheet_path), "docker-compose.yml"
190
+ )
122
191
  if os.path.exists(compose_path):
123
192
  logger.warning(
124
193
  f"Environment already initialized — reinitializing from {flowsheet_path}"
125
194
  )
126
195
 
127
- generate_compose(pf_dir, docker_providers, outputs_dir)
196
+ generate_compose(pf_dir, local_docker_providers, outputs_dir, flowsheet=flowsheet_path)
128
197
  logger.info(f"Generated {compose_path}")
129
198
 
130
199
  # Attempt docker compose pull — stream progress live
@@ -155,6 +224,21 @@ def init(
155
224
  )
156
225
  except subprocess.TimeoutExpired:
157
226
  logger.warning("docker compose pull timed out after 600s.")
227
+
228
+ logger.info(
229
+ "To start the containerized provider(s), run:\n"
230
+ f" docker compose -f {compose_path} up -d"
231
+ )
232
+ if any(info["type"] == "openmc" for info in local_docker_providers.values()):
233
+ logger.info(
234
+ "Running OpenMC — set OPENMC_DATA_ROOT to mount your OpenMC "
235
+ "data/workspace into the container (defaults to 'outputs'):\n"
236
+ f" OPENMC_DATA_ROOT=/path/to/data docker compose -f {compose_path} up -d"
237
+ )
238
+ elif remote_docker_providers:
239
+ logger.info(
240
+ "All containerized providers use remote URLs — skipping Docker setup."
241
+ )
158
242
  else:
159
243
  logger.info("No containerized providers — skipping Docker setup.")
160
244
 
@@ -177,5 +261,5 @@ def init(
177
261
  from .. import __version__ as pf_version
178
262
 
179
263
  write_lock(pf_dir, flowsheet_path, lock_providers, pf_version)
180
- logger.info(f"Wrote {os.path.join(pf_dir, 'lock.json')}")
264
+ logger.info(f"Wrote {os.path.join(flowsheet_env_dir(pf_dir, flowsheet_path), 'lock.json')}")
181
265
  logger.info(".processforge/ initialised successfully.")
@@ -18,7 +18,12 @@ from .common import (
18
18
  require_existing_file,
19
19
  validate_snapshot_config,
20
20
  )
21
- from .display import print_dof_report, print_structural_diff, print_unit_mismatches
21
+ from .display import (
22
+ print_dof_report,
23
+ print_provider_health,
24
+ print_structural_diff,
25
+ print_unit_mismatches,
26
+ )
22
27
 
23
28
 
24
29
  def plan(
@@ -116,7 +121,10 @@ def plan(
116
121
  logger.info(" Warm-start available : No snapshot found")
117
122
  logger.info(" Homotopy eligible : No (cold start)")
118
123
 
119
- # Step 7: Mermaid diagram
124
+ # Step 7: Provider / container health check
125
+ health_failures = print_provider_health(config)
126
+
127
+ # Step 8: Mermaid diagram
120
128
  if not no_diagram:
121
129
  diagram_output_dir = output_dir or "diagrams"
122
130
  os.makedirs(diagram_output_dir, exist_ok=True)
@@ -129,5 +137,5 @@ def plan(
129
137
 
130
138
  # Exit non-zero on hard errors
131
139
  hard_errors = [m for m in mismatches if not m.compatible]
132
- if hard_errors or report.system_dof < 0:
140
+ if hard_errors or report.system_dof < 0 or health_failures:
133
141
  raise SystemExit(1)
@@ -14,6 +14,7 @@ from ..result import plot_results, plot_timeseries, save_results_zarr
14
14
  from ..state import StateManager
15
15
  from .common import (
16
16
  check_providers,
17
+ display_backend,
17
18
  flowsheet_basename,
18
19
  output_root,
19
20
  require_existing_file,
@@ -96,6 +97,7 @@ def run(
96
97
  os.makedirs(outputs_dir, exist_ok=True)
97
98
  zarr_path = os.path.join(outputs_dir, f"{base_name}_results.zarr")
98
99
  save_results_zarr(results, zarr_path, run_info=run_info)
100
+ logger.info(f" Backend : {display_backend(config, getattr(fs, 'backend', 'dynamic'))}")
99
101
  logger.info(f"Results saved to {zarr_path}")
100
102
 
101
103
  if export_images:
@@ -5,6 +5,8 @@ import os
5
5
 
6
6
  from loguru import logger
7
7
 
8
+ from .lock import flowsheet_env_dir
9
+
8
10
  COMPOSE_FILENAME = "docker-compose.yml"
9
11
  COMPOSE_HEADER = (
10
12
  "# Auto-generated by pf init — do not edit manually.\n"
@@ -12,7 +14,9 @@ COMPOSE_HEADER = (
12
14
  )
13
15
 
14
16
 
15
- def _compose_path(pf_dir: str) -> str:
17
+ def _compose_path(pf_dir: str, flowsheet: str | None = None) -> str:
18
+ if flowsheet is not None:
19
+ return os.path.join(flowsheet_env_dir(pf_dir, flowsheet), COMPOSE_FILENAME)
16
20
  return os.path.join(pf_dir, COMPOSE_FILENAME)
17
21
 
18
22
 
@@ -20,6 +24,7 @@ def generate_compose(
20
24
  pf_dir: str,
21
25
  containerized_providers: dict[str, dict],
22
26
  outputs_dir: str = "outputs",
27
+ flowsheet: str | None = None,
23
28
  ) -> None:
24
29
  """Generate docker-compose.yml for providers that need Docker.
25
30
 
@@ -27,6 +32,9 @@ def generate_compose(
27
32
  pf_dir: Path to .processforge/ directory.
28
33
  containerized_providers: Dict of provider_name -> {"url": ..., "docker_image": ..., "port": ...}.
29
34
  outputs_dir: Host directory to mount as /data in containers.
35
+ flowsheet: Flowsheet path. When given, the compose file is written into
36
+ that flowsheet's per-flowsheet environment directory; otherwise it
37
+ is written to the legacy root location.
30
38
  """
31
39
  if not containerized_providers:
32
40
  return
@@ -37,16 +45,20 @@ def generate_compose(
37
45
  port = info.get("port") or 9000
38
46
  lines.append(f" {name}:")
39
47
  lines.append(f" image: {image}")
40
- # Bind directly to the host network so the provider is reachable at
41
- # http://localhost:<port>. Docker bridge port-publishing is unreliable
42
- # on some hosts (the published port is not reachable from the host),
43
- # and host networking avoids that entirely.
44
- lines.append(f" network_mode: host")
48
+ # Publish the provider's API-contract port (host:container) so the
49
+ # service is reachable at http://localhost:<port>, matching the
50
+ # PORT/EXPOSE declared in the provider Dockerfile.
51
+ lines.append(f" ports:")
52
+ lines.append(f' - "{port}:{port}"')
45
53
  lines.append(f" volumes:")
46
54
  lines.append(f' - "${{OPENMC_DATA_ROOT:-{outputs_dir}}}:/data"')
47
55
  lines.append("")
48
56
 
49
- os.makedirs(pf_dir, exist_ok=True)
50
- path = _compose_path(pf_dir)
57
+ if flowsheet is not None:
58
+ target_dir = flowsheet_env_dir(pf_dir, flowsheet)
59
+ else:
60
+ target_dir = pf_dir
61
+ os.makedirs(target_dir, exist_ok=True)
62
+ path = os.path.join(target_dir, COMPOSE_FILENAME)
51
63
  with open(path, "w", encoding="utf-8") as f:
52
64
  f.write("\n".join(lines))