Add lattice plugin architecture, stdface entry point, and documentation by k-yoshimi · Pull Request #53 · issp-center-dev/StdFace

k-yoshimi · 2026-01-29T11:15:47Z

Add LatticePlugin ABC and registry in lattice/init.py
Wrap all 10 lattice modules in plugin classes with auto-registration
Replace LATTICE_DISPATCH/BOOST_DISPATCH dicts with registry-based proxies
Update HPhi plugin to use lattice registry for boost dispatch
Add pyproject.toml with dev dependencies and entry points
Add stdface shell script entry point at project root
Add plugin tutorial (docs/tutorial_plugin.md) with solver and lattice examples
Update README.md and python/README.md with architecture, install, and usage docs
Rewrite test_lattice_dispatch.py to test plugin registry

- Add LatticePlugin ABC and registry in lattice/__init__.py - Wrap all 10 lattice modules in plugin classes with auto-registration - Replace LATTICE_DISPATCH/BOOST_DISPATCH dicts with registry-based proxies - Update HPhi plugin to use lattice registry for boost dispatch - Add pyproject.toml with dev dependencies and entry points - Add stdface shell script entry point at project root - Add plugin tutorial (docs/tutorial_plugin.md) with solver and lattice examples - Update README.md and python/README.md with architecture, install, and usage docs - Rewrite test_lattice_dispatch.py to test plugin registry Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

The previous commit included only the files modified for the lattice plugin architecture but omitted the rest of the stdface package (core modules, solver plugins, writers) that had been created in earlier refactoring steps but never committed. This caused ModuleNotFoundError on CI. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

Copilot

Pull request overview

Introduces a lattice plugin registry and plugin-wrapped lattice implementations, updates dispatch logic to use registry-backed proxies, adds an HPhi solver plugin hook for Boost, and adds packaging/docs/entry-point scaffolding plus updated tests.

Changes:

Added LatticePlugin ABC + registry (register_lattice, get_lattice, get_all_lattices) and converted lattice dispatch to registry-backed proxies.
Wrapped all lattice modules in plugin classes with auto-registration and updated HPhi post-lattice Boost handling to use the lattice registry.
Added packaging metadata (pyproject.toml), a root ./stdface launcher script, and updated README/tutorial + lattice dispatch tests.

Reviewed changes

Copilot reviewed 49 out of 49 changed files in this pull request and generated 25 comments.

Show a summary per file

File	Description
test/unit/test_lattice_dispatch.py	Rewrites dispatch tests to validate lattice registry + proxy behavior.
stdface	Adds a root shell launcher that runs the Python entry point.
python/stdface/solvers/hphi/_plugin.py	Adds HPhi solver plugin (post-lattice Boost, keyword/reset tables).
python/stdface/lattice/init.py	Introduces `LatticePlugin` and lattice plugin registry + auto-discovery.
python/stdface/lattice/chain_lattice.py	Converts chain lattice to plugin-registered module.
python/stdface/lattice/square_lattice.py	Converts square/tetragonal lattice to plugin-registered module.
python/stdface/lattice/triangular_lattice.py	Converts triangular lattice to plugin-registered module.
python/stdface/lattice/honeycomb_lattice.py	Converts honeycomb lattice to plugin-registered module (incl. boost).
python/stdface/lattice/kagome.py	Converts kagome lattice to plugin-registered module (incl. boost).
python/stdface/lattice/ladder.py	Converts ladder lattice to plugin-registered module (incl. boost).
python/stdface/lattice/orthorhombic.py	Converts orthorhombic lattice to plugin-registered module.
python/stdface/lattice/fc_ortho.py	Converts face-centered orthorhombic lattice to plugin-registered module.
python/stdface/lattice/pyrochlore.py	Converts pyrochlore lattice to plugin-registered module.
python/stdface/lattice/wannier90.py	Adds Wannier90 lattice module + plugin registration.
python/stdface/core/stdface_main.py	Replaces dispatch dicts with registry-backed proxies; refactors build/parse hooks.
python/pyproject.toml	Adds packaging metadata, dev deps, console script + entry points.
python/history/refactoring_log.md	Documents the refactoring steps for plugin architecture.
python/README.md	Updates Python install/usage/docs to reflect plugin architecture and CLI.
docs/tutorial_plugin.md	Adds tutorial documentation for adding lattice/solver plugins.
README.md	Updates top-level docs for install/usage and new architecture.

Comments suppressed due to low confidence (1)

python/pyproject.toml:40

[tool.setuptools.packages.find] uses include = ["stdface*"], but the top-level python/stdface/ directory has no __init__.py (namespace package), so setuptools.find_packages will typically not discover stdface.lattice / stdface.core packages. Either add python/stdface/__init__.py (making it a regular package) or enable namespace package discovery (e.g. namespaces = true) / use find_namespace_packages.

[tool.setuptools.packages.find]
include = ["stdface*"]

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Copilot · 2026-01-29T11:30:11Z

python/pyproject.toml

+[project.entry-points."stdface.solvers"]
+hphi = "stdface.solvers.hphi:HPhiPlugin"
+mvmc = "stdface.solvers.mvmc:MVMCPlugin"
+uhf = "stdface.solvers.uhf:UHFPlugin"
+hwave = "stdface.solvers.hwave:HWavePlugin"
+


The declared solver entry points reference modules/classes that don’t exist in this PR state (e.g. stdface.solvers.mvmc, stdface.solvers.uhf, stdface.solvers.hwave, and even stdface.solvers.hphi:HPhiPlugin won’t resolve without an __init__.py exporting HPhiPlugin). Either add the missing solver packages (and export the classes) or remove/fix these entry point declarations.

Suggested change

[project.entry-points."stdface.solvers"]

hphi = "stdface.solvers.hphi:HPhiPlugin"

mvmc = "stdface.solvers.mvmc:MVMCPlugin"

uhf = "stdface.solvers.uhf:UHFPlugin"

hwave = "stdface.solvers.hwave:HWavePlugin"

Copilot · 2026-01-29T11:30:12Z

python/stdface/core/stdface_main.py

+from .stdface_vals import (
+    StdIntList, ModelType, SolverType, MethodType,
+    NaN_i, NaN_d, NaN_c, UNSET_STRING,
+)
+from .param_check import exit_program


These imports reference sibling modules that are not present under python/stdface/core/ (e.g. stdface_vals.py, param_check.py, keyword_parser.py). As-is, importing stdface.core.stdface_main will raise ModuleNotFoundError. Either move the existing implementations into python/stdface/core/ or change these imports to the actual module locations.

Copilot · 2026-01-29T11:30:12Z

python/stdface/lattice/chain_lattice.py

+from .input_params import input_spin_nn, input_spin, input_hopp, input_coulomb_v
+from .interaction_builder import (
+    malloc_interactions,
+    add_neighbor_interaction, add_local_terms,
+)
+from .site_util import (
+    init_site, set_label, set_local_spin_flags,
+    lattice_gp,
+)
+from .boost_output import (


This module imports .input_params, .interaction_builder, .site_util, and .boost_output, but those helper modules are not present under python/stdface/lattice/ (they currently exist under python/lattice/). Importing stdface.lattice.chain_lattice will fail with ModuleNotFoundError unless the helpers are moved or the imports are updated.

Suggested change

from .input_params import input_spin_nn, input_spin, input_hopp, input_coulomb_v

from .interaction_builder import (

malloc_interactions,

add_neighbor_interaction, add_local_terms,

)

from .site_util import (

init_site, set_label, set_local_spin_flags,

lattice_gp,

)

from .boost_output import (

from lattice.input_params import input_spin_nn, input_spin, input_hopp, input_coulomb_v

from lattice.interaction_builder import (

malloc_interactions,

add_neighbor_interaction, add_local_terms,

)

from lattice.site_util import (

init_site, set_label, set_local_spin_flags,

lattice_gp,

)

from lattice.boost_output import (

Copilot · 2026-01-29T11:30:12Z

python/stdface/solvers/hphi/_plugin.py

+from ...plugin import SolverPlugin, register
+from ...core.stdface_vals import StdIntList, SolverType, MethodType, NaN_i, NaN_d
+from ...core.keyword_parser import (
+    store_with_check_dup_s, store_with_check_dup_sl,
+    store_with_check_dup_i, store_with_check_dup_d,
+)
+from .writer import large_value, print_calc_mod, print_excitation, print_pump
+


This plugin module depends on several modules that are not present in the current package layout (stdface/plugin.py, stdface/core/stdface_vals.py, stdface/core/keyword_parser.py, stdface/solvers/hphi/writer.py, and stdface/writer/common_writer.py). As-is, importing stdface.solvers.hphi._plugin will raise ModuleNotFoundError, so the solver plugin registry/entry points won’t work until those modules are added/moved or the imports are updated to the actual locations.

Copilot · 2026-01-29T11:30:13Z

stdface

+SCRIPT_DIR="$(cd "$(dirname "$0")" && pwd)"
+PYTHONPATH="${SCRIPT_DIR}/python" exec python3 -m stdface "$@"


This wrapper executes python3 -m stdface, but the repo currently does not contain a python/stdface/__main__.py module, so ./stdface ... will fail with No module named stdface.__main__ / No module named stdface. Either add a proper stdface/__main__.py (and package init if needed) or update the wrapper to invoke the existing CLI module directly (e.g., python/__main__.py).

Copilot · 2026-01-29T11:30:18Z

python/stdface/lattice/square_lattice.py

+    add_neighbor_interaction, add_local_terms,
+)
+from .site_util import (
+    init_site, set_label, set_local_spin_flags,


Import of 'set_label' is not used.

Suggested change

init_site, set_label, set_local_spin_flags,

init_site, set_local_spin_flags,

Copilot · 2026-01-29T11:30:18Z

python/stdface/lattice/triangular_lattice.py

+import numpy as np
+


Import of 'np' is not used.

Suggested change

import numpy as np

Copilot · 2026-01-29T11:30:18Z

python/stdface/lattice/triangular_lattice.py

+    add_neighbor_interaction, add_local_terms,
+)
+from .site_util import (
+    init_site, set_label, set_local_spin_flags,


Import of 'set_label' is not used.

Suggested change

init_site, set_label, set_local_spin_flags,

init_site, set_local_spin_flags,

Copilot · 2026-01-29T11:30:18Z

python/stdface/core/stdface_main.py

+                    for a in plugin.aliases:
+                        if a in self._BOOST_LATTICES:
+                            result.append((a, plugin.boost))
+            except KeyError:


'except' clause does nothing but pass and there is no explanatory comment.

Suggested change

except KeyError:

except KeyError:

# Alias is listed in _BOOST_LATTICES but no corresponding lattice plugin

# is registered; silently skip it when building the dispatch table.

Copilot · 2026-01-29T11:30:19Z

python/stdface/core/stdface_main.py

+    try:
+        plugin = get_plugin(solver)
+        plugin.post_lattice(StdI)
+    except KeyError:


'except' clause does nothing but pass and there is no explanatory comment.

Suggested change

except KeyError:

except KeyError:

# No plugin registered for this solver: post-lattice processing is optional.

- site_util: hash-based cell index lookup (O(NCell) -> O(1) per call) - interaction_builder: precompute spin ladder factors in general_j() - common_writer: buffer greenone/greentwo file I/O with join() - mvmc/writer: numpy-ize _compute_parallel_orbitals (O(N⁴) -> O(N²)) - mvmc/variational: vectorize Jastrow symmetrise with np.where Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

These modules were moved into the python/stdface/ package hierarchy during the plugin architecture refactoring and are no longer needed at their original locations. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

Migrate __main__.py and all unit tests from old flat imports (e.g. from stdface_vals import ...) to the new package structure (e.g. from stdface.core.stdface_vals import ...). Also update test_solver_writer.py for the plugin architecture rename. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

- writer.py: buffer all file I/O (print_orb, orbitalidxpara, orbitalidxgen, gutzwilleridx) with join() instead of per-line write - writer.py: replace O(NOrb × N²) symmetrise loop with single-pass reverse map construction + targeted updates - variational.py: buffer jastrowidx.def and qptransidx.def I/O - variational.py: single-pass reverse map for Jastrow symmetrise - variational.py: pre-compute cell_vectors and sectors outside loops in generate_orb and _jastrow_global_optimization - common_writer.py: pre-compute spin_max and is_local_spin lookup tables in GreenFunctionIndices.__init__ to eliminate per-call overhead in deeply nested Green function index generation loops Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

- Buffer file I/O for HPhi excitation/pump writers and all interaction writers - Use list comprehensions and itertools.product for Green function index generation - Eliminate inner loop in green2_corr by computing spin4 directly from constraint - Vectorize Wannier90 inversion symmetry check with numpy broadcasting Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

Copilot

Pull request overview

Copilot reviewed 75 out of 77 changed files in this pull request and generated 7 comments.

Comments suppressed due to low confidence (13)

python/stdface/core/stdface_main.py:97

BOOST_DISPATCH relies on a hard-coded _BOOST_LATTICES alias set. This duplicates information already present in lattice plugins and can silently get out of sync if aliases change or new boost-capable lattices are added. Consider deriving boost support from the plugin itself (e.g., include aliases where plugin.boost is overridden vs LatticePlugin.boost) to keep the proxy accurate without manual updates.
python/stdface/core/stdface_main.py:427
SolverPlugin defines an init_fields() hook for adding dynamic attributes, but the runtime never calls it. As a result, plugins cannot safely declare reset_arrays for dynamically created arrays (getattr/arr[...] would fail). Consider calling plugin.init_fields(StdI) before applying plugin.reset_scalars/reset_arrays in _apply_field_resets (or early in _reset_vals).
python/stdface/writer/common_writer.py:804
print_2_green builds an in-memory list of every output line and then joins it into a single string. For realistic/large systems, greentwo.def can be extremely large (O(nsite^4)), so this approach can spike memory usage and potentially crash the process. Prefer streaming writes (write header, then write each row incrementally) or use fp.writelines over an iterator without materializing the full content in memory.
python/stdface/writer/interaction_writer.py:147
_write_interaction_file accumulates the entire file contents into a Python list before writing. Interaction files (especially InterAll) can be very large, so buffering all lines in memory can cause high peak RAM usage. Consider writing the header immediately and then writing each term as it is generated (or using fp.writelines with a generator) to keep memory bounded.
python/stdface/core/stdface_model_util.py:49
Import of 'exit_program' is not used.
Import of 'print_val_d' is not used.
Import of 'print_val_dd' is not used.
Import of 'print_val_c' is not used.
Import of 'print_val_i' is not used.
Import of 'not_used_d' is not used.
Import of 'not_used_j' is not used.
Import of 'not_used_i' is not used.
Import of 'required_val_i' is not used.
python/stdface/core/stdface_model_util.py:55
Import of 'input_spin_nn' is not used.
Import of 'input_spin' is not used.
Import of 'input_coulomb_v' is not used.
Import of 'input_hopp' is not used.
python/stdface/core/stdface_model_util.py:59
Import of 'print_xsf' is not used.
Import of 'print_geometry' is not used.
python/stdface/core/stdface_model_util.py:69
Import of 'trans' is not used.
Import of 'hopping' is not used.
Import of 'hubbard_local' is not used.
Import of 'mag_field' is not used.
Import of 'intr' is not used.
Import of 'general_j' is not used.
Import of 'coulomb' is not used.
Import of 'malloc_interactions' is not used.
python/stdface/core/stdface_model_util.py:75
Import of 'set_label' is not used.
Import of '_fold_site' is not used.
Import of 'init_site' is not used.
Import of 'find_site' is not used.
test/unit/test_hphi_writer.py:47
Import of 'print_excitation' is not used.
Import of 'print_pump' is not used.
test/unit/test_interaction_writer.py:24
Import of '_process_interaction' is not used.
python/stdface/core/stdface_main.py:123
'except' clause does nothing but pass and there is no explanatory comment.
python/stdface/core/stdface_main.py:560
'except' clause does nothing but pass and there is no explanatory comment.

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Copilot · 2026-01-29T12:05:44Z

python/stdface/lattice/__init__.py

+def _discover_lattices() -> None:
+    """Import all lattice modules to trigger auto-registration."""
+    from . import chain_lattice, square_lattice, ladder, triangular_lattice  # noqa: F401
+    from . import honeycomb_lattice, kagome, orthorhombic, fc_ortho, pyrochlore  # noqa: F401
+    from . import wannier90  # noqa: F401


_discover_lattices() hard-codes imports of built-in lattice modules and does not load entry points (even though pyproject.toml defines "stdface.lattices" entry points). If the intent is to support external lattice plugins, add entry-point discovery (importlib.metadata) here; otherwise the entry-point configuration is unused and the architecture still requires editing this function for new lattices.

@copilot open a new pull request to apply changes based on this feedback

docs/tutorial_plugin.md

Copilot · 2026-01-29T12:05:44Z

python/stdface/plugin.py

+def _discover_plugins() -> None:
+    """Load built-in plugins by importing the solvers package.
+
+    This function is called lazily on first access to ensure plugins
+    are registered even if the solvers package hasn't been imported yet.
+    """
+    try:
+        import stdface.solvers  # noqa: F401 — triggers auto-registration
+    except ImportError:
+        pass


_discover_plugins() only imports stdface.solvers, but pyproject.toml declares entry points under "stdface.solvers" for plugin extensibility. Without loading entry points via importlib.metadata, externally installed solver plugins will never be discovered, and the entry-point configuration is effectively unused.

@copilot open a new pull request to apply changes based on this feedback

test/unit/test_stdface_main_helpers.py

python/stdface/plugin.py

Copilot · 2026-01-29T12:08:35Z

@k-yoshimi I've opened a new pull request, #54, to work on those changes. Once the pull request is ready, I'll request review from you.

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

Copilot · 2026-01-29T12:09:17Z

@k-yoshimi I've opened a new pull request, #55, to work on those changes. Once the pull request is ready, I'll request review from you.

Copilot · 2026-01-29T12:09:34Z

@k-yoshimi I've opened a new pull request, #56, to work on those changes. Once the pull request is ready, I'll request review from you.

Copilot · 2026-01-29T12:09:41Z

@k-yoshimi I've opened a new pull request, #57, to work on those changes. Once the pull request is ready, I'll request review from you.

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

[WIP] Update lattice plugin architecture and documentation

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

[WIP] WIP address feedback on lattice plugin architecture

Remove unused NaN_d import from test_stdface_main_helpers.py

…-53-another-one

…-one Add explanatory comment for ImportError handling in plugin discovery

k-yoshimi requested a review from Copilot January 29, 2026 11:15

Copilot started reviewing on behalf of k-yoshimi January 29, 2026 11:16 View session

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k-yoshimi and others added 5 commits January 29, 2026 20:34

Remove old package files superseded by python/stdface/

4f3d4c0

These modules were moved into the python/stdface/ package hierarchy during the plugin architecture refactoring and are no longer needed at their original locations. Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>

k-yoshimi requested a review from Copilot January 29, 2026 11:55

Copilot started reviewing on behalf of k-yoshimi January 29, 2026 11:56 View session

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Initial plan

1437f12

Copilot AI mentioned this pull request Jan 29, 2026

[WIP] Update lattice plugin architecture and documentation #54

Merged

6 tasks

k-yoshimi and others added 2 commits January 29, 2026 21:08

Update docs/tutorial_plugin.md

0dc2106

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>

Initial plan

fbfc871

Copilot AI mentioned this pull request Jan 29, 2026

[WIP] WIP address feedback on lattice plugin architecture #55

Merged

5 tasks

Initial plan

a91d406

Copilot AI mentioned this pull request Jan 29, 2026

Add explanatory comment for ImportError handling in plugin discovery #56

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Initial plan

650dc2c

Copilot AI mentioned this pull request Jan 29, 2026

Remove unused NaN_d import from test_stdface_main_helpers.py #57

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Copilot AI and others added 4 commits January 29, 2026 12:11

Remove unused NaN_d import from test_stdface_main_helpers.py

7d2f5a5

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

Remove build artifacts and update .gitignore

1d39de2

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

Add explanatory comment for ImportError handling in _discover_plugins

c275b74

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

Merge pull request #54 from issp-center-dev/copilot/sub-pr-53

d0f7bf8

[WIP] Update lattice plugin architecture and documentation

Copilot AI and others added 5 commits January 29, 2026 12:12

Remove egg-info build artifacts and update .gitignore

f1e350e

Co-authored-by: k-yoshimi <4516893+k-yoshimi@users.noreply.github.com>

Merge pull request #55 from issp-center-dev/copilot/sub-pr-53-again

7d98edd

[WIP] WIP address feedback on lattice plugin architecture

Merge pull request #57 from issp-center-dev/copilot/sub-pr-53-yet-again

cfe2198

Remove unused NaN_d import from test_stdface_main_helpers.py

Merge branch 'feature/solver-plugin-architecture' into copilot/sub-pr…

9a0fa4f

…-53-another-one

Merge pull request #56 from issp-center-dev/copilot/sub-pr-53-another…

6b1f6ba

…-one Add explanatory comment for ImportError handling in plugin discovery

k-yoshimi merged commit 9357bbf into develop Jan 29, 2026
12 checks passed

k-yoshimi deleted the feature/solver-plugin-architecture branch January 29, 2026 12:17

		SCRIPT_DIR="$(cd "$(dirname "$0")" && pwd)"
		PYTHONPATH="${SCRIPT_DIR}/python" exec python3 -m stdface "$@"

	init_site, set_label, set_local_spin_flags,
	init_site, set_local_spin_flags,

	except KeyError:
	except KeyError:
	# No plugin registered for this solver: post-lattice processing is optional.

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