Fix openbabel install to ensure q-chem tests run #320
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Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #320 +/- ##
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- Coverage 62.67% 0.00% -62.68%
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Files 35 35
Lines 3003 3003
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- Hits 1882 0 -1882
- Misses 1121 3003 +1882 ☔ View full report in Codecov by Sentry. |
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Yeah, I can help here if you need. |
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@espottesmith --- thank you! I'll give you write access. Help needed 😅 |
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Alright. Will try to get to this over the next couple of days. As you can imagine, I won't be writing many PRs next week. |
… Python 3.12 and remove max-parallel: 1
janosh
added
qchem
os.rename(self.input_file, self.input_file + ".last") E FileExistsError: [WinError 183] Cannot create a file when that file already exists: 'mol.qin' -> 'mol.qin.last'
janosh
reviewed
Mar 9, 2024
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Closes #319.
@espottesmith and @samblau: I could use your help to resolve the test errors that have come about over the 7+ months since the q-chem tests have been silently being skipped.