fix: select SIESTA pseudopotentials per task

[njzjz-bot]

Summary

• map the global type_map to its SIESTA pseudopotential files;
• pass only the pseudopotentials for elements present in each FP structure to input generation;
• validate the global type/pseudopotential mapping and cover subset-only systems.

Tests

• cd tests/generator && /tmp/dpgen-test-env/bin/python -m unittest test_make_fp.TestMakeFPSIESTA.test_make_fp_siesta test_make_fp.TestMakeFPSIESTA.test_make_fp_siesta_with_element_subset -v
• ruff check dpgen/generator/run.py tests/generator/test_make_fp.py
• ruff format --check dpgen/generator/run.py tests/generator/test_make_fp.py

Fixes #1859

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

[coderabbitai]

Warning

Review limit reached

Next included review available in 48 minutes.

View limit details

Limit details: You’ve used all 2 included reviews currently available.

You've used all free OSS reviews for now. Wait for the free limit to reset to keep reviewing this public repository.

Learn how review limits work.

Review configuration:

⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro Plus

Run ID: aaf69896-a429-4029-b8fe-b02327eba9a6

📥 Commits

Reviewing files that changed from the base of the PR and between d5ce577 and 2616f34.

📒 Files selected for processing (2)

• dpgen/generator/run.py
• tests/generator/test_make_fp.py

---

Thanks for using CodeRabbit! It's free for OSS, and your support helps us grow. If you like it, consider giving us a shout-out.

❤️ Share

• X
• Mastodon
• Reddit
• LinkedIn

_{Comment @coderabbitai help to get the list of available commands.}

[codecov]

Codecov Report

❌ Patch coverage is 83.33333% with 1 line in your changes missing coverage. Please review.
✅ Project coverage is 49.81%. Comparing base (d5ce577) to head (2616f34).

Files with missing lines	Patch %	Lines
dpgen/generator/run.py	83.33%	1 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #1958      +/-   ##
==========================================
+ Coverage   49.80%   49.81%   +0.01%     
==========================================
  Files          83       83              
  Lines       14986    14991       +5     
==========================================
+ Hits         7464     7468       +4     
- Misses       7522     7523       +1     

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:

• ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.