Allow pyscf>=1.7.2 for QChem #1254
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@@ Coverage Diff @@
## master #1254 +/- ##
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Coverage 98.14% 98.14%
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Files 146 146
Lines 11035 11035
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Hits 10830 10830
Misses 205 205 Continue to review full report at Codecov.
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glassnotes
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Apr 26, 2021
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Thanks for getting to this so quickly @antalszava ! Installing qchem in Python 3.9 is now a totally smooth process 🎉
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(cherry picked from commit 34ada2c)
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* allow pyscf>=1.7.2 for QChem (#1254) (cherry picked from commit 34ada2c) * merge * merge * Fixes two bugs in the parameter-shift Hessian (#1260) * Fixes two bugs in the parameter-shift Hessian * fix * added additional test (cherry picked from commit beaf0a6) * merge * changelog * Apply suggestions from code review Co-authored-by: Maria Schuld <mariaschuld@gmail.com> Co-authored-by: antalszava <antalszava@gmail.com> Co-authored-by: Maria Schuld <mariaschuld@gmail.com>
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* V0.15.1 bugfix (#1268) * allow pyscf>=1.7.2 for QChem (#1254) (cherry picked from commit 34ada2c) * merge * merge * Fixes two bugs in the parameter-shift Hessian (#1260) * Fixes two bugs in the parameter-shift Hessian * fix * added additional test (cherry picked from commit beaf0a6) * merge * changelog * Apply suggestions from code review Co-authored-by: Maria Schuld <mariaschuld@gmail.com> Co-authored-by: antalszava <antalszava@gmail.com> Co-authored-by: Maria Schuld <mariaschuld@gmail.com> * fix Co-authored-by: antalszava <antalszava@gmail.com> Co-authored-by: Maria Schuld <mariaschuld@gmail.com>
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Addresses #1145 as the
pyscf==1.7.2strict pinning is no longer required.The original issue was solved in PySCF (see change to the SciPy requirement) after we've done the strict pinning.