Merge branch 'release-3.0.0b4' into 'main'

.gitignore

.gitlab-ci.yml

CHANGELOG.md

CITATION.cff

CONTRIBUTING.md

README.md

codemeta.json

doc/source/_templates/credits_tmpl.rst

doc/source/conf.py

doc/source/contributing/cli.rst

doc/source/contributing/contributing.md

doc/source/contributing/extcomp.rst

doc/source/contributing/investigations.rst

doc/source/index.rst

doc/source/reference/core.rst

doc/source/reference/jobs.rst

doc/source/reference/models.rst

doc/source/reference/qm.rst

examples/quick_start/config.toml

examples/tutorial_my_investigation/cli.py