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Andrew-S-Rosen / QMOF

The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
MIT License
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Switch to openpyxl for xlsx reader in v4 #10

Closed Andrew-S-Rosen closed 3 years ago

Andrew-S-Rosen commented 3 years ago

In the qmof_database.zip folder, the get_subset_data.py script calls pandas' read_excel() function to read a .xlsx file. The underlying xlrd engine no longer supports reading of .xlsx, so line 65 should instead read: df_excel = pd.read_excel(os.path.join(parent_name, entry),index_col=0, header=None, sheet_name=None, engine='openpyxl') to call openpyxl instead. Will be updated in v4 of the QMOF database.

Andrew-S-Rosen commented 3 years ago

Now patched in the upcoming v4