WIP: PEP 503/625 compatibility and Windows MPI tests #530
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This includes MPI on Windows runners, shifting Python versions from 3.8 - 3.11 to 3.9 - 3.12, and unpinning Mac runners from macos-13 (as we no longer have to worry about cvxopt + Python 3.8 issues).
Tests passing on https://github.com/sandialabs/pyGSTi/actions/runs/12897551960, so reverting the GitHub action changes needed to test on the feature branch. Also fixing some NumPy/string escape/deprecation warnings.
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This PR is primarily to handle some release and GitHub runner related issues, including:
Source distribution filename (#523)
Making the source distribution filename consistent with PEP 625 in turn requires the package name to be consistent with normalized names from PEP 503: "The name should be lowercased with all runs of the characters ., -, or _ replaced with a single - character."
This means that our package name goes from pyGSTi to pygsti. Note that users cloning the repo from GitHub would still have the folder named pyGSTi because the repo name is remaining unchanged. I'm inclined to keep it that way, but am open to being convinced otherwise. This means that this change is mostly hidden from the user -- the most noticeable change is that keen-eyed users will notice that
pip installcommands will now say pygsti instead of pyGSTi, which is a change I'm mostly fine with since they import lowercase pygsti anyway.MPI installation on Windows runners (#522)
WIP. The issue is the MPI installation is borked on Windows GitHub runners. The only way to test this is to push stuff to a branch, so I've chosen to make this the branch to do so.
Upgrade Python versions to 3.9 - 3.12
We currently support Python 3.8 - 3.11, but 3.8 went EOL at the end of last year and Python 3.12 has been out for over a year. We should update this here. We should also tentatively start testing 3.13 since it has been out, but I feel less strongly about getting that support in here.
Unpin Mac runner version
We had the Mac runner version pinned to
macos-13due to a wheel issue regarding later Mac version, CVXOPT, and Python 3.8 (an unfortunate confluence of version requirements). Now that we are dropping Python 3.8, we can unpin this and finally test on the latest Mac runner (which is nice since the Mojave (macos-14) runners test the M1 chips that we are all running on now, and the Sequoia (macos-15) runner is in beta).