Move verdi data to click (#1738)

* Data subcommand move to click:

1) create a folder for data click commands
2) place subcommands of verdi data in different files

* data upf is moved to click

* Put list-related functions to a separate file

* data bands (not fully) transferred to click

* Grouping the list option arguments

* Removing not needed load_dbenv

* data bands are fully transferred to click

* More progress on cif

* Remove label and description from data lavel

* More progress on cif

* data parameter are transferred to click

* More progress on cif

* Put export in a separate file

* More progress on cif

* More progress on cif

* data remote is fully transferred to click

* More progress on cif deposit

* More progress on cif deposit

* Ported verdi data structure to click

* Transfer verdi data trajectory to click

* Transfer verdi data array to click

* Deposit function in a separate file

* More progress on data cif

* Small changes in data cif

* Fixing various errors

* More progress on tests

* More progress on verdi data cif tests

* Polish the verdi data code:

- remove unnecessary imports
- put show functionality in a separate file
- put commonly used click options in isolated containers

* More progress in tests

* Transfer verdi data cif to click

* Cleaning & correcting the code.

* Cleaning tests, cif & general code, fixing problems in argument grouping

* Adding tests for cif import

* More progress on cif tests

* Loading correctly db_env to not affect the tests

* Cif tests should be OK (need some cleaning but are complete). We should see why and if we need to have so many flags that are not used.

* Improving structure data listing. Starting structure data tests

* More progress on verdi data tests

* Structure listing test added

* More progress on TrajectoryData list testing

* Finished with array and bands tests

* Add tests for verdi data parameter

* some progress on verdi data remote tests

* finish tests for verdi data remote

* Trajectory data listing test OK

* Verdi band listing tested more extensively, uses common listing arguments and has proper group support

* verdi data cif list test uses also the common method for testing

* Minor beautification of the code

* finish with tests for verdi data upf

* Remove --elements options where not needed

* verdi data export tests for structure and trajectory too

* More on verdi data trajectory export tests

* verdi data cif export uses common testing mechanism with structure and trajectory

* Add checks to verdi data cif,structure,trajectory

* Remove redundant tests

* Remove redundant test from the list of backend tests

* Solve formatting problems

* Adapt array.py and bands.py to python convention

* Adapt cif.py to python format convention

* Adapt deposit.py to python format convention

* Adapt export.py to python format convention

* Adapt list.py to python format convention

* Adapt parameter.py to python format convention

* Adapt remote.py to python format convention

* Adapt show.py to python format convention

* Adapt structure.py to python format convention

* Adapt trajectory.py to python format convention

* Adapt upf.py to python format convention

* format changes at some random places

* Fix remaining format changes

.pre-commit-config.yaml

@@ -16,6 +16,18 @@
         aiida/cmdline/commands/calculation.py|
         aiida/cmdline/commands/comment.py|
         aiida/cmdline/commands/daemon.py|
+        aiida/cmdline/commands/data/array.py|
+        aiida/cmdline/commands/data/bands.py|
+        aiida/cmdline/commands/data/cif.py|
+        aiida/cmdline/commands/data/deposit.py|
+        aiida/cmdline/commands/data/export.py|
+        aiida/cmdline/commands/data/list.py|
+        aiida/cmdline/commands/data/parameter.py|
+        aiida/cmdline/commands/data/remote.py|
+        aiida/cmdline/commands/data/show.py|
+        aiida/cmdline/commands/data/structure.py|
+        aiida/cmdline/commands/data/trajectory.py|
+        aiida/cmdline/commands/data/upf.py|
         aiida/cmdline/commands/code.py|
         aiida/cmdline/commands/graph.py|
         aiida/cmdline/commands/group.py|

aiida/backends/tests/__init__.py

@@ -71,6 +71,8 @@
         'cmdline.params.types.identifier': ['aiida.backends.tests.cmdline.params.types.test_identifier'],
         'cmdline.params.types.node': ['aiida.backends.tests.cmdline.params.types.test_node'],
         'cmdline.params.types.plugin': ['aiida.backends.tests.cmdline.params.types.test_plugin'],
+        'cmdline.commands.code': ['aiida.backends.tests.cmdline.commands.test_code'],
+        'cmdline.commands.data': ['aiida.backends.tests.cmdline.commands.test_data'],
         'cmdline.params.types.workflow': ['aiida.backends.tests.cmdline.params.types.test_workflow'],
         'daemon.client': ['aiida.backends.tests.daemon.test_client'],
         'orm.data.frozendict': ['aiida.backends.tests.orm.data.frozendict'],
@@ -94,7 +96,6 @@
         'work.job_processes': ['aiida.backends.tests.work.job_processes'],
         'plugin_loader': ['aiida.backends.tests.test_plugin_loader'],
         'daemon': ['aiida.backends.tests.daemon'],
-        'verdi_commands': ['aiida.backends.tests.verdi_commands'],
         'caching_config': ['aiida.backends.tests.test_caching_config'],
         'inline_calculation': ['aiida.backends.tests.inline_calculation'],
     }