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Merged
blaiszik merged 8 commits into from
Jan 22, 2026
Merged

Patch/restore mdf client #473

blaiszik merged 8 commits into from
Jan 22, 2026

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@blaiszik
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@blaiszik blaiszik commented Jan 22, 2026

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blaiszik and others added 8 commits January 13, 2026 22:13
@blaiszik @claude
Restore missing mdf_client.py from design-renaissance branch
e645c82 
This file was part of PR #469 but was not included in the merge,
causing ModuleNotFoundError when importing foundry.

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Fix DOI search to return correct dataset
2a4847e 
The forge DOI search can return multiple results where only one
actually has the matching DOI. Previously, get_metadata_by_doi()
blindly returned the first result, which often didn't have the
requested DOI.

Now it iterates through results to find the one with the exact
DOI match, fixing test_dataframe_search_by_doi and
test_dataframe_download_by_doi tests.

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Move torch/tensorflow to optional extras to fix CI disk space
1d13bf4 
The combined size of torch, tensorflow, and NVIDIA CUDA dependencies
exceeded GitHub Actions runner disk space (~4GB+). These ML frameworks
are now available as optional extras via pip install .[torch] or
pip install .[tensorflow].

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Fix flake8 linting errors
ad0c4c7 
- Remove unused imports (sys, rprint, Optional, pandas, numpy)
- Fix unused exception variable
- Remove f-string without placeholders
- Split long line in MCP server description
- Add noqa comment for intentional re-export

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Replace mdf_forge with internal MDFClient in tests
c25d88a 
Update test imports to use foundry.mdf_client.MDFClient instead of
mdf_forge.Forge, which is no longer a required dependency.

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Add optional extras and document installation
c74f88d 
Move heavy ML dependencies to optional extras to reduce default
install size:
- pip install foundry-ml[torch]
- pip install foundry-ml[tensorflow]
- pip install foundry-ml[huggingface]
- pip install foundry-ml[excel]
- pip install foundry-ml[examples]
- pip install foundry-ml[dev]

Update README with extras install instructions and NumPy 2.0
compatibility note.

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik @claude
Fix DOI search and improve MDFClient query handling
4a82fb6 
MDFClient improvements:
- Add Globus Search index ID constants (MDF_INDEX_ID, MDF_TEST_INDEX_ID)
- Add match_source_names() method with automatic version suffix stripping
- Add _has_field_filters property for elegant advanced mode detection
- Use advanced=True automatically for DOI and source_name searches
  (required for exact field matching in Globus Search)
- Add try/finally to ensure query state is always reset after search

Foundry search fix:
- Pass free-text query to Globus Search for server-side filtering
  instead of fetching 10 results and filtering client-side
- This fixes searches like f.search("Computational Band Gaps") that
  were failing when the target dataset wasn't in the first 10 results

Test additions:
- Add test_load_mp_band_gaps_dataset to verify DOI-based dataset loading

Re-rendered example notebooks with updated outputs.

Co-Authored-By: Claude Opus 4.5 <noreply@anthropic.com>
@blaiszik
Merge branch 'main' into patch/restore-mdf-client
ffbc370
@blaiszik blaiszik merged commit 5327b2b into main Jan 22, 2026
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what-the-diff bot commented Jan 22, 2026

PR Summary

  • Enhancements to working_with_data.ipynb

    • The code has been updated to install and manage a specific version of pyarrow, a software library, more efficiently. This change also takes care of potential conflicts with other software.
    • For easier understanding, the code's format was improved and supplemented with extra comments and printed outputs.

  • Adjustments to oqmd.ipynb

    • Certain parts of the code are now run in a specific order to ensure the whole code functions properly.
    • Previous output messages, which might confuse reviewers, have been removed to make the code easier to read.

  • Optimizations in foundry.py

    • A new approach in the get_metadata_by_query process allows for quicker and more efficient data filtering on the server-side.
    • The search feature received an upgrade, now allowing filtering by field-specific attributes like source_name.

  • Updates in mdf_client.py

    • Introduced constants for identifying specific Globus Search Indexes. This addition improves the organization and readability of the code.
    • Also included is a new method to filter data sets by source_name, enhancing navigation.
    • Error handling and management of dataset search were improved, reducing the chance of errors and facilitating smoother searches.

  • Improvements to test_foundry.py

    • A test was added to verify loading of a specific dataset by its DOI (or Digital Object Identifier), offering better quality control.
    • General cleanup of the test code and removal of unnecessary comments provide greater clarity for anyone reviewing or using these tests.

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2 participants

@blaiszik