pytest marks for programs

[loriab]

(see changelog and CI summary below)

Description

Changelog description

Status

• Code base linted
• Ready to go

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[Copilot]

Pull request overview

This PR adds pytest markers for all external program dependencies used in QCEngine's test suite. Previously, tests used @using("program") as a decorator and/or has_program() checks inside test bodies; now there's a clear distinction between @uusing("program") (decorator form) and using("program") (inline form for marks= in pytest.param). Both forms apply three marks: a skipif mark, an addon label, and a program-specific label. This enables selecting tests by program via pytest -m openmm.

Changes:

• Refactored using() to return a tuple of marks for inline use, and introduced uusing() as the decorator form; updated all test files accordingly
• Converted plain tuple test params in _canonical_methods lists to pytest.param(...) with marks=using(...), replacing runtime has_program() skip checks
• Registered all program markers in pyproject.toml and enabled --strict-markers in CI

Reviewed changes

Copilot reviewed 26 out of 26 changed files in this pull request and generated 4 comments.

Show a summary per file

File	Description
qcengine/testing.py	Core refactor: split using into _using/uusing/using, added has_program aliases for classic-dftd3/classic-gcp, retired psi4 version sub-marks
pyproject.toml	Registered all program names as pytest markers, added addon marker
.github/workflows/CI.yml	Added --strict-markers and --durations flags to pytest invocations
docs/source/changelog.rst	Added v0.50.0rc3 changelog entry for the new marker feature
qcengine/tests/test_harness_canonical.py	Converted _canonical_methods to pytest.param with marks, removed has_program checks
qcengine/tests/test_procedures.py	Switched from @using to @uusing, added marks to params
qcengine/tests/test_qcmanybody.py	Switched from @using to @uusing
qcengine/tests/test_cli.py	Switched from @using to @uusing
qcengine/tests/test_mdi.py	Switched from @using to @uusing
qcengine/programs/tests/test_programs.py	Switched from @using to @uusing, updated psi4 version marks
qcengine/programs/tests/test_dftd3_mp2d.py	Updated dftd3→classic-dftd3 marks, removed psi4 version checks
qcengine/programs/tests/test_standard_suite.py	Updated psi4_mp2qcsk/psi4_derqcsk→psi4 marks
qcengine/programs/tests/test_canonical_config.py	Converted to pytest.param with marks, removed has_program checks
qcengine/programs/tests/test_canonical_fields.py	Removed has_program check (now handled by param marks)
qcengine/programs/tests/test_alignment.py	Updated psi4_derqcsk→psi4 marks
qcengine/programs/tests/test_turbomole.py	Switched to @uusing, added *using() spread for combined marks
Various other test files	Mechanical @using→@uusing conversions

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