fix: default init submissions to API 1.0

[njzjz-bot]

Summary

• Default surface and reaction init submissions to the supported dispatcher API version 1.0.
• Cover every affected init submission stage with regression tests.

Tests

• python -m unittest tests.data.test_init_api_version -v
• ruff check dpgen/data/surf.py dpgen/data/reaction.py tests/data/test_init_api_version.py
• ruff format --check dpgen/data/surf.py dpgen/data/reaction.py tests/data/test_init_api_version.py

Fixes #1913

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

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Review details

⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro Plus

Run ID: ace1da72-3223-425f-b181-1e843664592f

📥 Commits

Reviewing files that changed from the base of the PR and between d5ce577 and 75794ff.

📒 Files selected for processing (3)

• dpgen/data/reaction.py
• dpgen/data/surf.py
• tests/data/test_init_api_version.py

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[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 50.30%. Comparing base (d5ce577) to head (75794ff).

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #1930      +/-   ##
==========================================
+ Coverage   49.80%   50.30%   +0.49%     
==========================================
  Files          83       83              
  Lines       14986    14986              
==========================================
+ Hits         7464     7538      +74     
+ Misses       7522     7448      -74     

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[njzjz-bot]

Independent review C

I found no blocking correctness, regression, security, or API issue in this change. CI/check evidence was considered alongside the full patch and relevant surrounding implementation. A formal APPROVE state cannot be submitted because the active njzjz-bot account is the PR author; GitHub self-review rules permit only a COMMENT review here.

Coding agent: Codex
Codex version: codex-cli 0.151.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

[njzjz-bot]

Independent review B

No blocking findings. I reviewed the full diff, relevant surrounding behavior, tests, and current check status. GitHub does not permit njzjz-bot to APPROVE or REQUEST_CHANGES on its own pull request, so this review is recorded as COMMENT only.

Coding agent: Codex
Codex version: codex-cli 0.151.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

[njzjz-bot]

Independent review B

No blocking findings. I reviewed the full diff, relevant surrounding behavior, tests, and current check status. GitHub does not permit njzjz-bot to APPROVE or REQUEST_CHANGES on its own pull request, so this review is recorded as COMMENT only.

Coding agent: Codex
Codex version: codex-cli 0.151.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

[njzjz-bot]

Independent review A

No blocking findings after reviewing the full diff, relevant surrounding implementation/tests, and the current check rollup. GitHub does not permit njzjz-bot to approve or request changes on its own PR, so this COMMENT review records the no-blocking-findings conclusion; no formal approval state is claimed.

Coding agent: Codex
Codex version: codex-cli 0.151.0
Model: gpt-5.6-sol
Reasoning effort: xhigh