qiskit-community / qiskit-nature

Qiskit Nature is an open-source, quantum computing, framework for solving quantum mechanical natural science problems.
https://qiskit-community.github.io/qiskit-nature/
Apache License 2.0
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Add Python 3.12 support #1338

Closed woodsp-ibm closed 7 months ago

woodsp-ibm commented 7 months ago

Summary

See #1327 I will not mark this to close that since this still CI needs to use 3.12.0 specifically as the breaking change to testtools, referred there has not yet been addressed. So rather than have it close it and then open another specifically around juct using 3.12 when we are able, I just put a task list in there so this does one of the entries. The other will need a release of testtools first.

I marked this stable backport in order to facilitate a release that supports 3.12.

Details and comments

If/when merged will require branch rules updating.

woodsp-ibm commented 7 months ago

The exact 3.12.0 version made things a little more complicated around the PSI4 install. The if ... =="3.11" I had initially changed to if ... >= "3.11" which I think will be ok when the version is reduced to 3.12 when we don't have to be so explicit.

@mrossinek I found out, after a few fails, that the reason was 3.12 was failing was due to scipy being pinned per #1214 though that gave me little context. I imagine CI was failing here too but it really just points to the Qiskit PR. Either way it needed altering to allow a newer version for 3.12, so the constraint looks like it now is in Qiskit, which still has it. Though I was wondering if it was really needed any more here - I did not try running things without it.

coveralls commented 7 months ago

Pull Request Test Coverage Report for Build 7974550245

Details


Files with Coverage Reduction New Missed Lines %
qiskit_nature/second_q/drivers/psi4d/psi4driver.py 1 85.12%
<!-- Total: 1 -->
Totals Coverage Status
Change from base Build 7967252986: -0.01%
Covered Lines: 8786
Relevant Lines: 10127

💛 - Coveralls