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Renaming and reorganizing some
verdi commands (#2204)
* Move functionality from `verdi calculation` to `verdi process` and `verdi calcjob` The functionality that was in `verdi calculation` mostly applied only to calculation jobs, and not to any other calculations as generated for example with the calcfunction decorator. Other sub commands were generic enough to be put in `verdi process`. Here we move this common functionality such as the commands `show` and `logshow` to the `verdi process` command, renaming `logshow` to `report`. The remaining commands that apply to job calculations `inputls`, `inputcat`, `outputls`, `outputcat`, `gotocomputer` and `cleanworkdir` are moved to `verdi calcjob`. The old commands in `verdi calculation` are all deprecated and automatically forwarded to the new commands. * Move functionality from `verdi work` to `verdi process` The majority of functionality in `verdi work` that was not already deprecated and moved to `verdi process`, such as `status` and `report` are generally applicable to all process types. Therefore it makes sense to move everything there and deprecate the `verdi work` command. * Add the `verdi plugin` command This should serve as the central command to list registered plugins for the various entry point groups, instead of each verdi command having its own dedicated sub command. The existing sub commands for `verdi data` `verdi calculation` and `verdi work` have been deprecated and piped through to the new `verdi plugin` command.
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| Original file line number | Diff line number | Diff line change |
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| # -*- coding: utf-8 -*- | ||
| ########################################################################### | ||
| # Copyright (c), The AiiDA team. All rights reserved. # | ||
| # This file is part of the AiiDA code. # | ||
| # # | ||
| # The code is hosted on GitHub at https://github.com/aiidateam/aiida_core # | ||
| # For further information on the license, see the LICENSE.txt file # | ||
| # For further information please visit http://www.aiida.net # | ||
| ########################################################################### | ||
| # pylint: disable=protected-access,too-many-locals,invalid-name,too-many-public-methods | ||
| """Tests for `verdi calcjob`.""" | ||
| from __future__ import division | ||
| from __future__ import print_function | ||
| from __future__ import absolute_import | ||
| from click.testing import CliRunner | ||
|
|
||
| from aiida.backends.testbase import AiidaTestCase | ||
| from aiida.cmdline.commands import cmd_calcjob as command | ||
| from aiida.common.datastructures import calc_states | ||
| from aiida.orm.node.process.calculation.calcjob import CalcJobExitStatus | ||
|
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||
|
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||
| def get_result_lines(result): | ||
| return [e for e in result.output.split('\n') if e] | ||
|
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|
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| class TestVerdiCalculation(AiidaTestCase): | ||
| """Tests for `verdi calcjob`.""" | ||
|
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||
| @classmethod | ||
| def setUpClass(cls, *args, **kwargs): | ||
| super(TestVerdiCalculation, cls).setUpClass(*args, **kwargs) | ||
| from aiida.backends.tests.utils.fixtures import import_archive_fixture | ||
| from aiida.common.exceptions import ModificationNotAllowed | ||
| from aiida.common.links import LinkType | ||
| from aiida.orm import Node, CalculationFactory | ||
| from aiida.orm.node.process import CalcJobNode | ||
| from aiida.orm.data.parameter import ParameterData | ||
| from aiida.work.processes import ProcessState | ||
| from aiida import orm | ||
|
|
||
| cls.computer = orm.Computer( | ||
| name='comp', | ||
| hostname='localhost', | ||
| transport_type='local', | ||
| scheduler_type='direct', | ||
| workdir='/tmp/aiida', | ||
| backend=cls.backend).store() | ||
|
|
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| cls.code = orm.Code(remote_computer_exec=(cls.computer, '/bin/true')).store() | ||
| cls.group = orm.Group(name='test_group').store() | ||
| cls.node = Node().store() | ||
| cls.calcs = [] | ||
|
|
||
| user = orm.User.objects(cls.backend).get_default() | ||
| authinfo = orm.AuthInfo(computer=cls.computer, user=user, backend=cls.backend) | ||
| authinfo.store() | ||
|
|
||
| # Create 13 CalcJobNodes (one for each CalculationState) | ||
| for calcjob_state in calc_states: | ||
|
|
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| calc = CalcJobNode( | ||
| computer=cls.computer, resources={ | ||
| 'num_machines': 1, | ||
| 'num_mpiprocs_per_machine': 1 | ||
| }).store() | ||
|
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||
| # Trying to set NEW will raise, but in this case we don't need to change the state | ||
| try: | ||
| calc._set_state(calcjob_state) | ||
| except ModificationNotAllowed: | ||
| pass | ||
|
|
||
| try: | ||
| exit_status = CalcJobExitStatus[calcjob_state] | ||
| except KeyError: | ||
| if calcjob_state == 'IMPORTED': | ||
| calc._set_process_state(ProcessState.FINISHED) | ||
| else: | ||
| calc._set_process_state(ProcessState.RUNNING) | ||
| else: | ||
| calc._set_exit_status(exit_status) | ||
| calc._set_process_state(ProcessState.FINISHED) | ||
|
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| cls.calcs.append(calc) | ||
|
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| if calcjob_state == 'PARSING': | ||
| cls.KEY_ONE = 'key_one' | ||
| cls.KEY_TWO = 'key_two' | ||
| cls.VAL_ONE = 'val_one' | ||
| cls.VAL_TWO = 'val_two' | ||
|
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| output_parameters = ParameterData(dict={ | ||
| cls.KEY_ONE: cls.VAL_ONE, | ||
| cls.KEY_TWO: cls.VAL_TWO, | ||
| }).store() | ||
|
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| output_parameters.add_link_from(calc, 'output_parameters', link_type=LinkType.RETURN) | ||
|
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||
| # Create shortcut for easy dereferencing | ||
| cls.result_job = calc | ||
|
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| # Add a single calc to a group | ||
| cls.group.add_nodes([calc]) | ||
|
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| # Load the fixture containing a single ArithmeticAddCalculation node | ||
| import_archive_fixture('calcjob/arithmetic.add.aiida') | ||
|
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| # Get the imported ArithmeticAddCalculation node | ||
| ArithmeticAddCalculation = CalculationFactory('arithmetic.add') | ||
| calcjobs = orm.QueryBuilder(backend=cls.backend).append(ArithmeticAddCalculation).all()[0] | ||
| cls.arithmetic_job = calcjobs[0] | ||
|
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| def setUp(self): | ||
| self.cli_runner = CliRunner() | ||
|
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| def test_calcjob_res(self): | ||
| """Test verdi calcjob res""" | ||
| options = [str(self.result_job.uuid)] | ||
| result = self.cli_runner.invoke(command.calcjob_res, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertIn(self.KEY_ONE, result.output) | ||
| self.assertIn(self.VAL_ONE, result.output) | ||
| self.assertIn(self.KEY_TWO, result.output) | ||
| self.assertIn(self.VAL_TWO, result.output) | ||
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| for flag in ['-k', '--keys']: | ||
| options = [flag, self.KEY_ONE, '--', str(self.result_job.uuid)] | ||
| result = self.cli_runner.invoke(command.calcjob_res, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertIn(self.KEY_ONE, result.output) | ||
| self.assertIn(self.VAL_ONE, result.output) | ||
| self.assertNotIn(self.KEY_TWO, result.output) | ||
| self.assertNotIn(self.VAL_TWO, result.output) | ||
|
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| def test_calcjob_inputls(self): | ||
| """Test verdi calcjob inputls""" | ||
| options = [] | ||
| result = self.cli_runner.invoke(command.calcjob_inputls, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| options = [self.arithmetic_job.uuid] | ||
| result = self.cli_runner.invoke(command.calcjob_inputls, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 3) | ||
| self.assertIn('.aiida', get_result_lines(result)) | ||
| self.assertIn('aiida.in', get_result_lines(result)) | ||
| self.assertIn('_aiidasubmit.sh', get_result_lines(result)) | ||
|
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| options = [self.arithmetic_job.uuid, '.aiida'] | ||
| result = self.cli_runner.invoke(command.calcjob_inputls, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 2) | ||
| self.assertIn('calcinfo.json', get_result_lines(result)) | ||
| self.assertIn('job_tmpl.json', get_result_lines(result)) | ||
|
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| def test_calcjob_outputls(self): | ||
| """Test verdi calcjob outputls""" | ||
| options = [] | ||
| result = self.cli_runner.invoke(command.calcjob_outputls, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| options = [self.arithmetic_job.uuid] | ||
| result = self.cli_runner.invoke(command.calcjob_outputls, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 3) | ||
| self.assertIn('_scheduler-stderr.txt', get_result_lines(result)) | ||
| self.assertIn('_scheduler-stdout.txt', get_result_lines(result)) | ||
| self.assertIn('aiida.out', get_result_lines(result)) | ||
|
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| options = [self.arithmetic_job.uuid, 'aiida.out'] | ||
| result = self.cli_runner.invoke(command.calcjob_outputls, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 1) | ||
| self.assertIn('aiida.out', get_result_lines(result)) | ||
|
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||
| def test_calcjob_inputcat(self): | ||
| """Test verdi calcjob inputcat""" | ||
| options = [] | ||
| result = self.cli_runner.invoke(command.calcjob_inputcat, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| options = [self.arithmetic_job.uuid] | ||
| result = self.cli_runner.invoke(command.calcjob_inputcat, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 1) | ||
| self.assertEqual(get_result_lines(result)[0], '2 3') | ||
|
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| options = [self.arithmetic_job.uuid, 'aiida.in'] | ||
| result = self.cli_runner.invoke(command.calcjob_inputcat, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 1) | ||
| self.assertEqual(get_result_lines(result)[0], '2 3') | ||
|
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| def test_calcjob_outputcat(self): | ||
| """Test verdi calcjob outputcat""" | ||
| options = [] | ||
| result = self.cli_runner.invoke(command.calcjob_outputcat, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| options = [self.arithmetic_job.uuid] | ||
| result = self.cli_runner.invoke(command.calcjob_outputcat, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 1) | ||
| self.assertEqual(get_result_lines(result)[0], '5') | ||
|
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| options = [self.arithmetic_job.uuid, 'aiida.out'] | ||
| result = self.cli_runner.invoke(command.calcjob_outputcat, options) | ||
| self.assertIsNone(result.exception, result.output) | ||
| self.assertEqual(len(get_result_lines(result)), 1) | ||
| self.assertEqual(get_result_lines(result)[0], '5') | ||
|
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| def test_calcjob_cleanworkdir(self): | ||
| """Test verdi calcjob cleanworkdir""" | ||
|
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| # Specifying no filtering options and no explicit calcjobs should exit with non-zero status | ||
| options = [] | ||
| result = self.cli_runner.invoke(command.calcjob_cleanworkdir, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
|
||
| # Cannot specify both -p and -o options | ||
| for flag_p in ['-p', '--past-days']: | ||
| for flag_o in ['-o', '--older-than']: | ||
| options = [flag_p, '5', flag_o, '1'] | ||
| result = self.cli_runner.invoke(command.calcjob_cleanworkdir, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| # Without the force flag it should fail | ||
| options = [str(self.result_job.uuid)] | ||
| result = self.cli_runner.invoke(command.calcjob_cleanworkdir, options) | ||
| self.assertIsNotNone(result.exception) | ||
|
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| # With force flag we should find one calcjob | ||
| options = ['-f', str(self.result_job.uuid)] | ||
| result = self.cli_runner.invoke(command.calcjob_cleanworkdir, options) | ||
| self.assertIsNone(result.exception, result.output) |
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