[WIP] Fix PySCF workflow tests after 5508

[prckent]

Please review the developer documentation on the wiki of this project that contains help and requirements.

Please also follow the GitHub Pull Request guidance. As much as possible, try to avoid the "Don't"s to help maintain a high development velocity.

Proposed changes

Fix paths

What type(s) of changes does this code introduce?

Delete the items that do not apply

• Bugfix
• Testing changes (e.g. new unit/integration/performance tests)

Does this introduce a breaking change?

• No

What systems has this change been tested on?

None yet. Needs a PySCF installation.

Checklist

Update the following with an [x] where the items apply. If you're unsure about any of them, don't hesitate to ask. This is simply a reminder of what we are going to look for before merging your code.

• • [X] I have read the pull request guidance and develop docs
• • [X] This PR is up to date with the current state of 'develop'
• • [ ] Code added or changed in the PR has been clang-formatted
• • [ ] This PR adds tests to cover any new code, or to catch a bug that is being fixed
• • [ ] Documentation has been added (if appropriate)