fix: select CALYPSO models by backend

[njzjz-bot]

Summary

• Select .pb, .pth, or .savedmodel CALYPSO models from the configured training backend.
• Forward the same backend-specific model list for structure optimization and model deviation.
• Let copied CALYPSO helper scripts discover the forwarded graph.* model instead of hard-coding graph.000.pb.
• Add model-selection coverage for TensorFlow, PyTorch, and JAX.

Tests

• python -m unittest tests.generator.test_calypso -v
• ruff check dpgen/generator/lib/run_calypso.py dpgen/generator/lib/calypso_run_opt.py dpgen/generator/lib/calypso_check_outcar.py tests/generator/test_calypso.py
• Confirmed no graph*pb or graph.000.pb hard-coding remains in the CALYPSO execution helpers.

Fixes #1906

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: b6e11d0a-0de0-479d-8075-9cbbd0637122

📥 Commits

Reviewing files that changed from the base of the PR and between d5ce577 and 5fcffe8.

📒 Files selected for processing (4)

• dpgen/generator/lib/calypso_check_outcar.py
• dpgen/generator/lib/calypso_run_opt.py
• dpgen/generator/lib/run_calypso.py
• tests/generator/test_calypso.py

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[codecov]

Codecov Report

❌ Patch coverage is 24.00000% with 19 lines in your changes missing coverage. Please review.
✅ Project coverage is 49.77%. Comparing base (d5ce577) to head (5fcffe8).

Files with missing lines	Patch %	Lines
dpgen/generator/lib/calypso_check_outcar.py	0.00%	7 Missing ⚠️
dpgen/generator/lib/calypso_run_opt.py	0.00%	7 Missing ⚠️
dpgen/generator/lib/run_calypso.py	54.54%	5 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #1936      +/-   ##
==========================================
- Coverage   49.80%   49.77%   -0.03%     
==========================================
  Files          83       83              
  Lines       14986    15007      +21     
==========================================
+ Hits         7464     7470       +6     
- Misses       7522     7537      +15     

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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 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