Consolidate seed-geometry widgets + fix stale-disabled checkbox bug (UXP2.5) — v0.5.1

[NCCU-Schultz-Lab]

M-UX2 UXP2.5. Bumps to 0.5.1 — good real-world test of whether the
release: [published] trigger fires on its own this time (see the release.yml
saga on v0.5.0).

What changed

Geometry Opt, Frequency, and UV-Vis (TD-DFT) each built their own
near-identical seed-geometry dropdown + refresh button + note. Only one of the
three panels is ever visible at a time, so there was no benefit to three
widget instances — this collapses them to one.

Design choice: one real widget group (app._seed_dd /
_seed_refresh_btn / _seed_note); the three historical per-calc-type names
(_geo_seed_dd, _freq_seed_dd, _tddft_seed_dd, and the button/note
equivalents) are kept as aliases onto the same object, not renamed
everywhere. That removes the actual duplication — three widget instances,
three refresh wrappers, three change handlers, three observer/click bindings,
each down to one — without a rename sweeping every consumption site (_do_run)
and every existing test that addresses these widgets by their historical names.

The one real behavioral difference the three handlers had is preserved by
making the single on_seed_changed calc-type-aware: it gates
_freq_preopt_cb only when the active calc type is Frequency or UV-Vis, and
leaves it alone for Geometry Opt (and everything else) — exactly what UXP2.4's
test already guaranteed.

Two real bugs found and fixed, not introduced by this change

• The pre-opt checkbox could get stuck disabled. on_calc_type_changed
  only ever set _freq_preopt_cb.disabled = True (via the per-calc-type seed
  handlers) and never reset it to False on a plain calc-type switch. Pick a
  seed on Frequency, switch to Single Point, and the checkbox stayed disabled
  with no way back short of returning to the now-hidden Frequency panel and
  clearing the seed. It now re-evaluates .disabled from the seed value on
  every switch into/out of Frequency/UV-Vis, and resets it for every other
  calc type.
• The Geometry Opt seed dropdown didn't refresh on a molecule change.
  _set_molecule only re-filtered the Frequency/UV-Vis dropdowns, because
  Geometry Opt's seed dropdown didn't exist yet when that code was written.
  One shared dropdown means the single refresh call now covers Geometry Opt
  too — switching molecules while already on that panel no longer leaves it
  showing the previous molecule's matches.

Test changes — why, not just what

• Two existing tests needed a one-line addition
  (app.calc_type_dd.value = "UV-Vis (TD-DFT)") because they exercised the old
  on_tddft_seed_changed by setting the dropdown value directly, relying on
  which widget you touched to imply intent. Safe before this change, not
  after — with one shared dropdown, calc type is the only signal left.
• Two tests in test_geo_seed_geometry.py asserted the pre-consolidation
  invariant outright (app._geo_seed_dd is not app._freq_seed_dd) — rewritten
  to assert the new one, with the reasoning inline rather than silently
  flipped.
• Three new tests (TestPreoptCheckboxDoesNotGetStuckDisabled) cover the
  stale-disabled fix specifically: re-enabling on switch to Single Point, the
  checkbox staying gated when carrying a seed between Frequency and UV-Vis,
  and Geometry Opt still hiding it regardless of a pending seed.

Testing

Full suite: 1971 passed, 17 skipped (was 1968 — net +3 from the new
regression tests). pre-commit run --all-files clean.

Version

Bumped to 0.5.1 with a CHANGELOG entry, since this ships the stuck-checkbox fix
as user-visible behavior, not just internal cleanup.

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