MoleditPy 5 plugin licensing audit — 2026-10-19

The project owner authorized LGPL-3.0-or-later for eligible first-party plugin source. This audit records the scope of that migration, not a grant for upstream libraries or a declaration that every possible combined binary is distributable. Historical tags/releases and third-party terms remain unchanged. Independent plugin authors remain free to choose their own license under the host API permission.

Scope

  • 32 repository migrations, including the plugin collection and shared library.
  • NMRShiftDB2 predictor: GPLv3 retained. Both predictor JARs match upstream r2333 byte for byte; all ten classes in each JAR match r2097. CDK 2.11 matches its official checksum. Commit 21082a1 corrects existing NOTICE filenames, records provenance, and includes the separate database license. Complete source/build correspondence for the upstream stripped-down predictor remains unverified; binary provenance alone is not a full redistribution clearance. JARs are retained.
  • PySCF Calculator: GPLv3 retained with an explicit copyright-holder section 7 permission for the intended geomeTRIC combination (0295672). geomeTRIC 1.1.1 has BSD 3-clause Non-AI terms; those terms are preserved, not relicensed or described as ordinary BSD-3-Clause. The permission covers only first-party plugin rights. PySCF itself is Apache-2.0; pyberny is MPL-2.0.
  • ORCA Rust result analyzer: excluded at the owner’s request; PR #1 closed.
  • Collection plugins/OpenBabel_Conversion_Tool/: excluded; existing GPL terms retained. Open Babel’s GPL library terms cannot be changed by relabeling its Python wrapper.
  • Collection plugins/_old/: unchanged. Remote registry entries retain their authors’ terms.
  • The new local-only Open Babel optimizer is not included in this migration or published.

Each migrated repository includes LICENSE (LGPL additional permissions), COPYING (incorporated GPLv3 text), and LICENSING.md (scope and provenance). Release archives, Python distributions and single-file release companions carry those legal notices.

Pinned first-party copies

Job Manager’s copied Job Server HTTP client retains the recorded upstream commit and source hashes. The owner’s additional LGPL permission covers newly distributed first-party copies; upstream historical grants are retained in provenance. Job Server’s pinned Job Manager gitlink is unchanged; newly distributed first-party copies include the owner’s permission and the original UPSTREAM_LICENSE. No third-party copyright is relicensed by those permissions.

Four consumers pin the updated canonical periodic shared library. Its runtime source is byte-identical to the previous pin; the change adds licensing/packaging notices.

Validation completed locally

  • 32 canonical license pairs match the main application; Python/TOML/YAML changes parse.
  • 42 focused tests pass: shared release 2, Job Server packaging/release 15, Job Manager client 6, registry 19 (plus Job Manager subtests).
  • Four Python package families built as wheels and sdists; all eight artifacts include the three legal notices. The actual Job Server plugin ZIP also includes the root/execution notices and original upstream license.
  • Registry update changes only Metadata Saver’s content hash; historical plugin files and the excluded Open Babel tool are unchanged.
  • NMRShiftDB2 and PySCF release ZIPs include their corrected notices and license information; all three NMR JARs are unchanged. See license-fix-verification.json.
  • All 32 LGPL migration commit heads passed applicable GitHub checks, including the manually triggered template tests pinned to host v5.0.0a2.
  • These checks complement existing runtime tests; latest-head GitHub results are recorded separately in lgpl-ci-status.json.

Migrated repositories

Repository Licensing commit
moleditpy-mcp_server 86448912
moleditpy-periodic-shared e3b03d5a
moleditpy-plugins 4343a0be
moleditpy_3d-molecule-on-2d 17a7ce51
moleditpy_3d_functional_group_replacer 66dc0295
moleditpy_auto_rotator a4b06ba7
moleditpy_blender-export-pro d7f0eb34
moleditpy_camera_position_setter ef53d43c
moleditpy_cif_viewer b9da7dd1
moleditpy_DECIMER_plugin b21d72bb
moleditpy_gaussian_input_generator_pro d27c36cf
moleditpy_group_template 77364018
moleditpy_job_manager d6f7b502
moleditpy_nics_placer e05e48ba
moleditpy_nmr_predictor_cascade 86c7385b
moleditpy_opsin_name_to_structure 6b02eb83
moleditpy_orca_input_generator_pro 56f7e193
moleditpy_orca_result_analyzer_plugin d99d5a77
moleditpy_pmeff-plugin edb1044c
moleditpy_reaction_sketcher_plugin 82a2e88d
moleditpy_rotation_giffer c66a19af
moleditpy-plugin-template 901f7643
moleditpy_cp2k_input_generator 4c5351df
moleditpy_job_server fd881e20
moleditpy_molecule_styler 0add3933
moleditpy_orca_nics_analyzer 4ae19821
moleditpy_pets_in_editor c787eb67
moleditpy_quantum_espresso_input_generator 1c2e18df
moleditpy_reshiki_importer 17ddaaa7
moleditpy_slab_builder ab54e078
moleditpy_strain_homodesmotic_reaction_generator a7e74d0c
moleditpy_vasp_input_generator 6a38a0b4

Published dependency metadata inspected

Versions below are the inspected metadata snapshot, not universal build pins. Actual shipped versions and native/transitive components need their own notices.

Dependency Inspected version Reported license
PySide6-Essentials 6.12.0 LGPL-3.0-only OR GPL-2.0-only OR GPL-3.0-only
rdkit 2026.9.1 BSD-3-Clause
pyvista 0.49.1 MIT
pyvistaqt 0.13.1 MIT
vtk 9.7.1 BSD
numpy 2.5.4 BSD-3-Clause AND 0BSD AND MIT AND Zlib AND CC0-1.0
scipy 1.18.1 Copyright (c) 2001-2002 Enthought, Inc. 2003, SciPy Developers. All rights reserved. Redistribution and use in source and binary forms, with or wit… (see snapshot)
matplotlib 3.11.2 License agreement for matplotlib versions 1.3.0 and later ========================================================= 1. This LICENSE AGREEMENT is be… (see snapshot)
Pillow 13.0.0 MIT-CMU
pymatgen 2026.9.24 MIT
ase 3.29.0 LGPL-2.1-or-later
tblite 0.7.0 LGPL-3.0-or-later
cryptography 50.0.2 Apache-2.0 OR BSD-3-Clause
paramiko 5.1.0 LGPL-2.1
DECIMER 2.8.0 MIT
py2opsin 1.2.0 MIT
pyscf 2.14.0 Apache-2.0
geometric 1.1.1 See published source license
pyscf-dispersion 1.5.0 Apache-2.0
pyberny 0.7.0 MPL-2.0
nmrsim 0.7.1 MIT
fastapi 0.146.0 MIT
uvicorn 0.54.0 BSD-3-Clause
starlette 1.9.0 BSD-3-Clause
anyio 4.15.1 MIT
packaging 26.3 Apache-2.0 OR BSD-2-Clause
psutil 7.2.2 BSD-3-Clause
openai 3.35.1 Apache-2.0
google-genai 2.31.0 Apache-2.0
requests 2.34.2 Apache-2.0
markdown 3.11.1 BSD-3-Clause
truststore 0.10.5 MIT
openbabel 3.2.1 GPL-2.0-only

Primary sources and reproducible evidence

Local evidence: plugin-license-inventory.json, plugin-dependency-license-details.json, dependency-official-pypi-licenses.json, geometric-published-license.json, lgpl-static-verification.json, lgpl-shared-pins.json, lgpl-committed.json, lgpl-pushed.json and the build logs/artifacts in lgpl-packages/.

2026-11-02 follow-up: external Open Babel packages

The external Converter 2026.11.02 and Optimizer 1.0.1 offer first-party runtime code under GPL-2.0-or-later. The converter implementation and its regression tests move out of this collection; the existing registry ID points to the external ZIP. Their own LICENSING.md files document the intended independent-program boundary, MOL/JSON protocols and version choices. Open Babel itself retains GPL-2.0-only. Earlier audit statements and releases above are historical, not rewritten grants.