MAINT, DEP: Restructure the various qmflows sub packages
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Restructure the sub-package into the following public namespaces: * `parsers` * `parsers.adf` * `parsers.cp2k` * `parsers.orca` * `parsers.utils` f parser
Restructure the sub-package into the following public namespaces: * `templates`
Restructure the sub-package into the following public namespaces: * `packages` Also deprecates four functions: * `registry` * `load_properties` * `SerMolecule` * `SerSettings`
* `example_freqs` * `example_H2O2_TS` * `example_generic_constraints` * `example_partial_geometry_opt`
`Settings` should be directly imported from the main namespace
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This PR restructures the various qmflows sub-modules.
This includes the following changes:
packages,parsersandtemplatessub-packages; see below for the new (public) structure:qmflows.settingsmodule; theSettingsclass should be imported from the mainqmflowsnamespace.qmflows.parsers.cp2k.cp2KBasisParserfunction tocp2k_basis_parser.registry,load_properties,SerMoleculeandSerSettingsfunctions from theqmflows.packagesnamespace.example_freqs,example_H2O2_TS,example_generic_constraintsandexample_partial_geometry_optfunctions fromqmflowsto theqmflows.examplesnamespace.Note
For the sake of backwards compatiblity all affected functions and modules are still accessible under their old name, accompanied by a
DeprecationWarning. This will change at some point in the future though.