Entry points: add the core. prefix to all entry points

.docker/opt/configure-aiida.sh

@@ -38,12 +38,12 @@ if [[ ${NEED_SETUP_PROFILE} == true ]]; then
         --label "${computer_name}"                                 \
         --description "this computer"                              \
         --hostname "${computer_name}"                              \
-        --transport local                                          \
-        --scheduler direct                                         \
+        --transport core.local                                          \
+        --scheduler core.direct                                    \
         --work-dir /home/aiida/aiida_run/                          \
         --mpirun-command "mpirun -np {tot_num_mpiprocs}"           \
         --mpiprocs-per-machine 1 &&                                \
-    verdi computer configure local "${computer_name}"              \
+    verdi computer configure core.local "${computer_name}"              \
         --non-interactive                                          \
         --safe-interval 0.0
 fi

.github/config/add.yaml

@@ -1,7 +1,7 @@
 ---
 label: add
 description: add
-input_plugin: arithmetic.add
+input_plugin: core.arithmetic.add
 on_computer: true
 computer: localhost
 remote_abs_path: /bin/bash

.github/config/doubler.yaml

@@ -1,7 +1,7 @@
 ---
 label: doubler
 description: doubler
-input_plugin: templatereplacer
+input_plugin: core.templatereplacer
 on_computer: true
 computer: localhost
 remote_abs_path: PLACEHOLDER_REMOTE_ABS_PATH_DOUBLER

.github/config/localhost.yaml

@@ -2,8 +2,8 @@
 label: localhost
 description: localhost
 hostname: localhost
-transport: local
-scheduler: direct
+transport: core.local
+scheduler: core.direct
 shebang: '#!/usr/bin/env bash'
 work_dir: PLACEHOLDER_WORK_DIR
 mpirun_command: ' '

.github/config/slurm-ssh.yaml

@@ -2,8 +2,8 @@
 label: slurm-ssh
 description: slurm container
 hostname: localhost
-transport: ssh
-scheduler: slurm
+transport: core.ssh
+scheduler: core.slurm
 shebang: "#!/bin/bash"
 work_dir: /home/{username}/workdir
 mpirun_command: "mpirun -np {tot_num_mpiprocs}"

.github/system_tests/pytest/test_memory_leaks.py

@@ -14,7 +14,7 @@
 from aiida.plugins import CalculationFactory
 from aiida import orm
 
-ArithmeticAddCalculation = CalculationFactory('arithmetic.add')
+ArithmeticAddCalculation = CalculationFactory('core.arithmetic.add')
 
 
 def run_finished_ok(*args, **kwargs):
@@ -36,7 +36,7 @@ def test_leak_run_process():
 
 def test_leak_local_calcjob(aiida_local_code_factory):
     """Test whether running a local CalcJob leaks memory."""
-    inputs = {'x': orm.Int(1), 'y': orm.Int(2), 'code': aiida_local_code_factory('arithmetic.add', '/bin/bash')}
+    inputs = {'x': orm.Int(1), 'y': orm.Int(2), 'code': aiida_local_code_factory('core.arithmetic.add', '/bin/bash')}
     run_finished_ok(ArithmeticAddCalculation, **inputs)
 
     # check that no reference to the process is left in memory
@@ -51,7 +51,7 @@ def test_leak_ssh_calcjob():
     Note: This relies on the 'slurm-ssh' computer being set up.
     """
     code = orm.Code(
-        input_plugin_name='arithmetic.add', remote_computer_exec=[orm.load_computer('slurm-ssh'), '/bin/bash']
+        input_plugin_name='core.arithmetic.add', remote_computer_exec=[orm.load_computer('slurm-ssh'), '/bin/bash']
     )
     inputs = {'x': orm.Int(1), 'y': orm.Int(2), 'code': code}
     run_finished_ok(ArithmeticAddCalculation, **inputs)

.github/system_tests/pytest/test_pytest_fixtures.py

@@ -23,5 +23,5 @@ def test_aiida_localhost(aiida_localhost):
 def test_aiida_local_code(aiida_local_code_factory):
     """Test aiida_local_code_factory fixture.
     """
-    code = aiida_local_code_factory(entry_point='templatereplacer', executable='diff')
+    code = aiida_local_code_factory(entry_point='core.templatereplacer', executable='diff')
     assert code.computer.label == 'localhost-test'

.github/system_tests/test_daemon.py

@@ -277,7 +277,7 @@ def create_calculation_process(code, inputval):
     """
     Create the process and inputs for a submitting / running a calculation.
     """
-    TemplatereplacerCalculation = CalculationFactory('templatereplacer')
+    TemplatereplacerCalculation = CalculationFactory('core.templatereplacer')
     parameters = Dict(dict={'value': inputval})
     template = Dict(
         dict={
@@ -300,7 +300,7 @@ def create_calculation_process(code, inputval):
         },
         'max_wallclock_seconds': 5 * 60,
         'withmpi': False,
-        'parser_name': 'templatereplacer.doubler',
+        'parser_name': 'core.templatereplacer.doubler',
     }
 
     expected_result = {'value': 2 * inputval, 'retrieved_temporary_files': {'triple_value.tmp': str(inputval * 3)}}
@@ -318,7 +318,7 @@ def create_calculation_process(code, inputval):
 
 def run_arithmetic_add():
     """Run the `ArithmeticAddCalculation`."""
-    ArithmeticAddCalculation = CalculationFactory('arithmetic.add')
+    ArithmeticAddCalculation = CalculationFactory('core.arithmetic.add')
 
     code = load_code(CODENAME_ADD)
     inputs = {
@@ -378,7 +378,7 @@ def run_base_restart_workchain():
 
 def run_multiply_add_workchain():
     """Run the `MultiplyAddWorkChain`."""
-    MultiplyAddWorkChain = WorkflowFactory('arithmetic.multiply_add')
+    MultiplyAddWorkChain = WorkflowFactory('core.arithmetic.multiply_add')
 
     code = load_code(CODENAME_ADD)
     inputs = {
@@ -524,7 +524,7 @@ def relaunch_cached(results):
     """Launch the same calculations but with caching enabled -- these should be FINISHED immediately."""
     code_doubler = load_code(CODENAME_DOUBLER)
     cached_calcs = []
-    with enable_caching(identifier='aiida.calculations:templatereplacer'):
+    with enable_caching(identifier='aiida.calculations:core.templatereplacer'):
         for counter in range(1, NUMBER_CALCULATIONS + 1):
             inputval = counter
             calc, expected_result = run_calculation(code=code_doubler, counter=counter, inputval=inputval)

.github/system_tests/test_plugin_testcase.py

@@ -43,7 +43,7 @@ def get_data():
         Return some Dict
         """
         from aiida.plugins import DataFactory
-        data = DataFactory('dict')(dict={'data': 'test'})
+        data = DataFactory('core.dict')(dict={'data': 'test'})
         data.store()
         return data
 
@@ -58,8 +58,8 @@ def get_computer(cls, temp_dir):
             label='localhost',
             hostname='localhost',
             description='my computer',
-            transport_type='local',
-            scheduler_type='direct',
+            transport_type='core.local',
+            scheduler_type='core.direct',
             workdir=temp_dir,
             backend=cls.backend
         ).store()

.github/system_tests/test_profile_manager.py

@@ -68,7 +68,7 @@ def test_create_use_destroy_profile2(self):
 
         from aiida.orm import load_node
         from aiida.plugins import DataFactory
-        data = DataFactory('dict')(dict={'key': 'value'})
+        data = DataFactory('core.dict')(dict={'key': 'value'})
         data.store()
         data_pk = data.pk
         self.assertTrue(load_node(data_pk))

.github/system_tests/workchains.py

@@ -16,7 +16,7 @@
 from aiida.orm import Int, List, Str
 from aiida.plugins import CalculationFactory
 
-ArithmeticAddCalculation = CalculationFactory('arithmetic.add')
+ArithmeticAddCalculation = CalculationFactory('core.arithmetic.add')
 
 
 class ArithmeticAddBaseWorkChain(BaseRestartWorkChain):

.github/workflows/setup.sh

@@ -23,14 +23,14 @@ verdi setup --config "${CONFIG}/profile.yaml"
 
 # set up localhost computer
 verdi computer setup --config "${CONFIG}/localhost.yaml"
-verdi computer configure local localhost --config "${CONFIG}/localhost-config.yaml"
+verdi computer configure core.local localhost --config "${CONFIG}/localhost-config.yaml"
 verdi computer test localhost
 verdi code setup --config "${CONFIG}/doubler.yaml"
 verdi code setup --config "${CONFIG}/add.yaml"
 
 # set up slurm-ssh computer
 verdi computer setup --config "${CONFIG}/slurm-ssh.yaml"
-verdi computer configure ssh slurm-ssh --config "${CONFIG}/slurm-ssh-config.yaml" -n  # needs slurm container
+verdi computer configure core.ssh slurm-ssh --config "${CONFIG}/slurm-ssh-config.yaml" -n  # needs slurm container
 verdi computer test slurm-ssh --print-traceback
 
 verdi profile setdefault test_${AIIDA_TEST_BACKEND}

.molecule/default/files/polish/cli.py

@@ -23,7 +23,7 @@
 @click.argument('expression', type=click.STRING, required=False)
 @click.option('-d', '--daemon', is_flag=True, help='Submit the workchains to the daemon.')
 @options.CODE(
-    type=types.CodeParamType(entry_point='arithmetic.add'),
+    type=types.CodeParamType(entry_point='core.arithmetic.add'),
     required=False,
     help='Code to perform the add operations with. Required if -C flag is specified'
 )

.molecule/default/files/polish/lib/template/base.tpl

@@ -6,7 +6,7 @@ from aiida.orm import Code, Int, Str, Dict
 from aiida.plugins import CalculationFactory
 
 
-ArithmeticAddCalculation = CalculationFactory('arithmetic.add')
+ArithmeticAddCalculation = CalculationFactory('core.arithmetic.add')
 
 
 def get_default_options(num_machines=1, max_wallclock_seconds=1800):

.molecule/default/setup_aiida.yml

@@ -64,16 +64,16 @@
       --label "localhost"
       --description "this computer"
       --hostname "localhost"
-      --transport local
-      --scheduler direct
+      --transport core.local
+      --scheduler core.direct
       --work-dir {{ aiida_path }}/local_work_dir/
       --mpirun-command "mpirun -np {tot_num_mpiprocs}"
       --mpiprocs-per-machine 1
 
   - name: verdi computer configure localhost
     when: aiida_check_computer.rc != 0
     command: >
-      {{ venv_bin }}/verdi -p {{ aiida_backend }} computer configure local "localhost"
+      {{ venv_bin }}/verdi -p {{ aiida_backend }} computer configure core.local "localhost"
       --non-interactive
       --safe-interval 0.0
 

.molecule/default/test_polish_workchains.yml

@@ -24,7 +24,7 @@
     command: >
       {{ venv_bin }}/verdi -p {{ aiida_backend }} code setup
       -D "simple script that adds two numbers"
-      -n -L add -P arithmetic.add
+      -n -L add -P core.arithmetic.add
       -Y localhost --remote-abs-path=/bin/bash
 
   - name: Copy workchain files

.pre-commit-config.yaml

@@ -76,6 +76,7 @@ repos:
                 aiida/orm/nodes/node.py|
                 aiida/orm/nodes/process/.*py|
                 aiida/plugins/entry_point.py|
+                aiida/plugins/factories.py|
                 aiida/repository/.*py|
                 aiida/tools/graph/graph_traversers.py|
                 aiida/tools/groups/paths.py|

aiida/backends/djsite/db/migrations/0049_entry_point_core_prefix.py

@@ -0,0 +1,71 @@
+# -*- 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=invalid-name,line-too-long
+"""Update node types after `core.` prefix was added to entry point names."""
+from django.db import migrations
+
+from aiida.backends.djsite.db.migrations import upgrade_schema_version
+
+REVISION = '1.0.49'
+DOWN_REVISION = '1.0.48'
+
+forward_sql = """
+    UPDATE db_dbnode SET node_type = 'data.core.array.ArrayData.' WHERE node_type = 'data.array.ArrayData.';
+    UPDATE db_dbnode SET node_type = 'data.core.array.bands.BandsData.' WHERE node_type = 'data.array.bands.BandsData.';
+    UPDATE db_dbnode SET node_type = 'data.core.array.kpoints.KpointData.' WHERE node_type = 'data.array.kpoints.KpointData.';
+    UPDATE db_dbnode SET node_type = 'data.core.array.projection.ProjectionData.' WHERE node_type = 'data.array.projection.ProjectionData.';
+    UPDATE db_dbnode SET node_type = 'data.core.array.trajectory.TrajectoryData.' WHERE node_type = 'data.array.trajectory.TrajectoryData.';
+    UPDATE db_dbnode SET node_type = 'data.core.array.xy.XyData.' WHERE node_type = 'data.array.xy.XyData.';
+    UPDATE db_dbnode SET node_type = 'data.core.base.BaseData.' WHERE node_type = 'data.base.BaseData.';
+    UPDATE db_dbnode SET node_type = 'data.core.bool.Bool.' WHERE node_type = 'data.bool.Bool.';
+    UPDATE db_dbnode SET node_type = 'data.core.cif.CifData.' WHERE node_type = 'data.cif.CifData.';
+    UPDATE db_dbnode SET node_type = 'data.core.code.Code.' WHERE node_type = 'data.code.Code.';
+    UPDATE db_dbnode SET node_type = 'data.core.dict.Dict.' WHERE node_type = 'data.dict.Dict.';
+    UPDATE db_dbnode SET node_type = 'data.core.float.Float.' WHERE node_type = 'data.float.Float.';
+    UPDATE db_dbnode SET node_type = 'data.core.folder.FolderData.' WHERE node_type = 'data.folder.FolderData.';
+    UPDATE db_dbnode SET node_type = 'data.core.int.Int.' WHERE node_type = 'data.int.Int.';
+    UPDATE db_dbnode SET node_type = 'data.core.list.List.' WHERE node_type = 'data.list.List.';
+    UPDATE db_dbnode SET node_type = 'data.core.numeric.NumericData.' WHERE node_type = 'data.numeric.NumericData.';
+    UPDATE db_dbnode SET node_type = 'data.core.orbital.OrbitalData.' WHERE node_type = 'data.orbital.OrbitalData.';
+    UPDATE db_dbnode SET node_type = 'data.core.remote.RemoteData.' WHERE node_type = 'data.remote.RemoteData.';
+    UPDATE db_dbnode SET node_type = 'data.core.remote.stash.RemoteStashData.' WHERE node_type = 'data.remote.stash.RemoteStashData.';
+    UPDATE db_dbnode SET node_type = 'data.core.remote.stash.folder.RemoteStashFolderData.' WHERE node_type = 'data.remote.stash.folder.';
+    UPDATE db_dbnode SET node_type = 'data.core.singlefile.SinglefileData.' WHERE node_type = 'data.singlefile.SinglefileData.';
+    UPDATE db_dbnode SET node_type = 'data.core.str.Str.' WHERE node_type = 'data.str.Str.';
+    UPDATE db_dbnode SET node_type = 'data.core.structure.StructureData.' WHERE node_type = 'data.structure.StructureData.';
+    UPDATE db_dbnode SET node_type = 'data.core.upf.UpfData.' WHERE node_type = 'data.upf.UpfData.';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.direct' WHERE scheduler_type = 'direct';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.lsf' WHERE scheduler_type = 'lsf';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.pbspro' WHERE scheduler_type = 'pbspro';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.sge' WHERE scheduler_type = 'sge';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.slurm' WHERE scheduler_type = 'slurm';
+    UPDATE db_dbcomputer SET scheduler_type = 'core.torque' WHERE scheduler_type = 'torque';
+    UPDATE db_dbcomputer SET transport_type = 'core.local' WHERE transport_type = 'local';
+    UPDATE db_dbcomputer SET transport_type = 'core.ssh' WHERE transport_type = 'ssh';
+    UPDATE db_dbnode SET process_type = 'aiida.calculations:core.arithmetic.add' WHERE process_type = 'aiida.calculations:arithmetic.add';
+    UPDATE db_dbnode SET process_type = 'aiida.calculations:core.templatereplacer' WHERE process_type = 'aiida.calculations:templatereplacer';
+    UPDATE db_dbnode SET process_type = 'aiida.workflows:core.arithmetic.add_multiply' WHERE process_type = 'aiida.workflows:arithmetic.add_multiply';
+    UPDATE db_dbnode SET process_type = 'aiida.workflows:core.arithmetic.multiply_add' WHERE process_type = 'aiida.workflows:arithmetic.multiply_add';
+    UPDATE db_dbnode SET attributes = jsonb_set(attributes, '{"parser_name"}', '"core.arithmetic.add"') WHERE attributes->>'parser_name' = 'arithmetic.add';
+    UPDATE db_dbnode SET attributes = jsonb_set(attributes, '{"parser_name"}', '"core.templatereplacer.doubler"') WHERE attributes->>'parser_name' = 'templatereplacer.doubler';
+    """
+
+
+class Migration(migrations.Migration):
+    """Update node types after `core.` prefix was added to entry point names."""
+
+    dependencies = [
+        ('db', '0048_computer_name_to_label'),
+    ]
+
+    operations = [
+        migrations.RunSQL(sql=forward_sql, reverse_sql=''),
+        upgrade_schema_version(REVISION, DOWN_REVISION),
+    ]

aiida/backends/djsite/db/migrations/__init__.py

@@ -21,7 +21,7 @@ class DeserializationException(AiidaException):
     pass
 
 
-LATEST_MIGRATION = '0048_computer_name_to_label'
+LATEST_MIGRATION = '0049_entry_point_core_prefix'
 
 
 def _update_schema_version(version, apps, _):

aiida/backends/djsite/queries.py

@@ -137,7 +137,7 @@ def get_bands_and_parents_structure(self, args):
             pks = [_[0] for _ in this_chunk]
 
             # get the closest structures (WITHOUT DbPath)
-            structure_dict = get_closest_parents(pks, Q(node_type='data.structure.StructureData.'), chunk_size=1)
+            structure_dict = get_closest_parents(pks, Q(node_type='data.core.structure.StructureData.'), chunk_size=1)
 
             struc_pks = [structure_dict.get(pk) for pk in pks]