docs links and GHA

[loriab]

Description

technical improvements to docs, part 2

Todos

• bug fix and energy change these changes to RI basis for sto-3g, sto-6g, 3-21g https://github.com/psi4/psi4/pull/2146/files#diff-343949bff4fe0802df72641969d7aceb07a122625e5b70d95c6e2757e4ee3c92R435 now refer to a real basis set, so in practice, calcs will use the svp now rather than the qzvpp. tests sapt-ecp and nbody-levels have been tweaked to pass. this will lead to real numbers changes in psi4 runs, though hopefully they'll be a little quicker, too. apparently hunting docs ref errors can fix real bugs
• docs now pass sphinx-build -b linkcheck, meaning that all the external hyperlinks in the docs are ok or redirect, none broken (except for a few that are excused in conf.py.in). 300 -> 0 broken links!
• started on the sphinx-build -b html -n nitpicky mode. 1300 -> 1000
• fixed all the docstring of psi4.core.PyCapsule.dfh:: WARNING: py:class reference target not found: psi::DFHelper
  • these happen when exports use or return a class that hasn't yet been pb11 exported, https://pybind11.readthedocs.io/en/stable/advanced/misc.html?highlight=docstring#avoiding-c-types-in-docstrings
  • OneBodySOInt and psio_entry added
  • a couple docstrings edited to figure out how parser wants str enums in docstring
  • all other export_ and core.cc changes are rearrangements only

Checklist

• Tests added for any new features
• full tests pass

Status

• Ready for review
• Ready for merge SQUASH

[github-actions]

Hello world ! 👋

[github-actions]

An automated commit has been issued to your PR branch updating samples/. Be sure to git pull --rebase origin <pr-branch> locally. 👋

[github-actions]

An automated commit has been issued to your PR branch updating samples/. Be sure to git pull --rebase origin <pr-branch> locally. 👋

[github-actions]

An automated commit has been issued to your PR branch updating samples/. Be sure to git pull --rebase origin <pr-branch> locally. 👋

[github-actions]

An automated commit has been issued to your PR branch updating samples/. Be sure to git pull --rebase origin <pr-branch> locally. 👋

[github-actions]

@loriab
Based upon a build of the documentation target (make sphinxman locally with Sphinx installed at CMake configuration time):

• an automated commit has been issued to your PR branch
  • this updates samples/ based on tests/
  • if objectionable, make changes and force push your local branch, but you can't avoid the update forever
  • usually, git pull --rebase origin <prbranch> to synchronize your local branch with GH
• an automated pull request has been issued to the docs website repo previewing <objdir>/doc/sphinxman/html
  • preview docs changes at [Auto] Docs from 2146 psi4docs#1
  • further action on auto pull request not required

[github-actions]

@loriab
Based upon a build of the documentation target (locally, make sphinxman with Sphinx installed at CMake configuration time):

• an automated pull request [Auto] Docs from 2146 psi4docs#1 has been issued to the docs website repo
  • this previews docs changes from <objdir>/doc/sphinxman/html
  • look over your docs changes at checks, deploy-preview. Edit your PR branch here as needed; no further action on auto PR required.
  • alternately, look over your docs changes locally by downloading sphinxman-html zip file from Archive list in Action run

[github-actions]

@loriab
Based upon a build of the documentation target (locally, make sphinxman with Sphinx installed at CMake configuration time):

• an automated pull request [Auto] Docs from 2146 psi4docs#1 has been issued to the docs website repo
  • this previews docs changes from <objdir>/doc/sphinxman/html
  • look over your docs changes at checks, deploy-preview. Edit your PR branch here as needed; no further action on auto PR required.
  • alternately, look over your docs changes locally by downloading sphinxman-html zip file from Archive list in Action run

[andysim]

LGTM!

[github-actions]

@loriab
Based upon a build of the documentation target (locally, make sphinxman with Sphinx installed at CMake configuration time):

• an automated commit 5aa048b has been issued to your PR branch

  • this updates 4 files in samples/ based on tests/
  • if objectionable, make changes and force push your local branch, but you can't avoid the update forever
  • usually, git pull --rebase origin ghadocs3 to synchronize your local branch with GH

• an automated pull request [Auto] Docs from 2146 psi4docs#1 has been issued to the docs website repo

  • this previews docs changes from <objdir>/doc/sphinxman/html
  • look over your docs changes at checks, deploy-preview. Edit your PR branch here as needed; no further action on auto PR required.
  • alternately, look over your docs changes locally by downloading sphinxman-html zip file from Archive list in Action run