♻️ REFACTOR: Remove reentry requirement (#5058)

This commit replaces the use of `reentry`, for entry point loading,
with `importlib_metadata` and, in turn,
removes the requirement for users to run `reentry scan` after installations.

aiida-core makes heavy use of entry-points to define plugins.
The `reentry` package was introduced to load these plugins since,
at the time, the de facto `pkg_resources` method for using entry points
was too slow, in particular for responsive CLI usage.
This, however, came with the drawback that users must perform an extra step
to register the plugins before aiida-core can be used, or when new plugins are installed.

In recent years `importlib.metadata` and its backport `importlib_metadata`
has replaced `pkg_resources`, and as of python/importlib_metadata#317
is now on a par with `reentry` for performance.

For now, we use `importlib_metadata` for all python versions,
rather than the built-in (as of python 3.8) `importlib.metadata`,
so that we can use the new python 3.10 API and performance boosts.

.docker/opt/configure-aiida.sh

@@ -8,9 +8,6 @@ set -x
 # Environment.
 export SHELL=/bin/bash
 
-# Update the list of installed aiida plugins.
-reentry scan
-
 # Setup AiiDA autocompletion.
 grep _VERDI_COMPLETE /home/${SYSTEM_USER}/.bashrc &> /dev/null || echo 'eval "$(_VERDI_COMPLETE=source verdi)"' >> /home/${SYSTEM_USER}/.bashrc
 

.github/system_tests/test_verdi_load_time.sh

@@ -21,10 +21,10 @@ while true; do
     load_time=$(/usr/bin/time -q -f "%e" $VERDI 2>&1 > /dev/null)
 
     if (( $(echo "$load_time < $LOAD_LIMIT" | bc -l) )); then
-        echo "SUCCESS: loading time $load_time at iteration $iteration below $load_limit"
+        echo "SUCCESS: loading time $load_time at iteration $iteration below $LOAD_LIMIT"
         break
     else
-        echo "WARNING: loading time $load_time at iteration $iteration above $load_limit"
+        echo "WARNING: loading time $load_time at iteration $iteration above $LOAD_LIMIT"
 
         if [ $iteration -eq $MAX_NUMBER_ATTEMPTS ]; then
             echo "ERROR: loading time exceeded the load limit $iteration consecutive times."

.github/workflows/benchmark.yml

@@ -54,7 +54,6 @@ jobs:
         python -m pip install --upgrade pip
         pip install -r requirements/requirements-py-3.8.txt
         pip install --no-deps -e .
-        reentry scan
         pip freeze
 
     - name: Run benchmarks

.github/workflows/ci-code.yml

@@ -98,7 +98,6 @@ jobs:
       run: |
         pip install --use-feature=2020-resolver -r requirements/requirements-py-${{ matrix.python-version }}.txt
         pip install --use-feature=2020-resolver --no-deps -e .
-        reentry scan
         pip freeze
 
     - name: Setup environment
@@ -125,15 +124,20 @@ jobs:
   verdi:
 
     runs-on: ubuntu-latest
-    timeout-minutes: 30
+    timeout-minutes: 15
+
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: [3.8, 3.9]
 
     steps:
     - uses: actions/checkout@v2
 
-    - name: Set up Python 3.8
+    - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v2
       with:
-        python-version: 3.8
+        python-version: ${{ matrix.python-version }}
 
     - name: Install python dependencies
       run: pip install -e .

.github/workflows/rabbitmq.yml

@@ -60,7 +60,6 @@ jobs:
             run: |
                 pip install -r requirements/requirements-py-3.8.txt
                 pip install --no-deps -e .
-                reentry scan
                 pip freeze
 
         -   name: Run tests

.github/workflows/release.yml

@@ -85,7 +85,6 @@ jobs:
         pip install --upgrade pip setuptools
         pip install -r requirements/requirements-py-3.8.txt
         pip install --no-deps -e .
-        reentry scan
     - name: Run sub-set of test suite
       run: pytest -sv -k 'requires_rmq'
 

.github/workflows/test-install.yml

@@ -160,7 +160,6 @@ jobs:
     - name: Install aiida-core
       run: |
         pip install -e .[atomic_tools,docs,notebook,rest,tests]
-        reentry scan
 
     - run: pip freeze
 

.github/workflows/verdi.sh

@@ -20,10 +20,10 @@ while true; do
     load_time=$(/usr/bin/time -q -f "%e" $VERDI 2>&1 > /dev/null)
 
     if (( $(echo "$load_time < $LOAD_LIMIT" | bc -l) )); then
-        echo "SUCCESS: loading time $load_time at iteration $iteration below $load_limit"
+        echo "SUCCESS: loading time $load_time at iteration $iteration below $LOAD_LIMIT"
         break
     else
-        echo "WARNING: loading time $load_time at iteration $iteration above $load_limit"
+        echo "WARNING: loading time $load_time at iteration $iteration above $LOAD_LIMIT"
 
         if [ $iteration -eq $MAX_NUMBER_ATTEMPTS ]; then
             echo "ERROR: loading time exceeded the load limit $iteration consecutive times."

.molecule/default/setup_aiida.yml

@@ -12,10 +12,6 @@
 
   tasks:
 
-  - name: reentry scan
-    command: "{{ venv_bin }}/reentry scan"
-    changed_when: false
-
   - name: Create a new database with name "{{ aiida_backend }}"
     postgresql_db:
       name: "{{ aiida_backend }}"

.pre-commit-config.yaml

@@ -1,7 +1,7 @@
 ci:
     autoupdate_schedule: monthly
     autofix_prs: true
-    skip: [mypy, pylint, dm-generate-all, pyproject, dependencies, verdi-autodocs, version-number]
+    skip: [mypy, pylint, dm-generate-all, dependencies, verdi-autodocs, version-number]
 
 repos:
 -   repo: https://github.com/pre-commit/pre-commit-hooks
@@ -70,6 +70,7 @@ repos:
                 aiida/manage/database/delete/nodes.py|
                 aiida/orm/nodes/node.py|
                 aiida/orm/nodes/process/.*py|
+                aiida/plugins/entry_point.py|
                 aiida/repository/.*py|
                 aiida/tools/graph/graph_traversers.py|
                 aiida/tools/groups/paths.py|
@@ -97,19 +98,6 @@ repos:
                 utils/dependency_management.py
             )$
 
-    -   id: pyproject
-        name: Validate pyproject.toml
-        entry: python ./utils/dependency_management.py validate-pyproject-toml
-        language: system
-        pass_filenames: false
-        files: >-
-            (?x)^(
-                setup.json|
-                setup.py|
-                utils/dependency_management.py|
-                pyproject.toml
-            )$
-
     -   id: dependencies
         name: Validate environment.yml
         entry: python ./utils/dependency_management.py validate-environment-yml

aiida/cmdline/commands/cmd_computer.py

@@ -20,7 +20,7 @@
 from aiida.cmdline.utils import echo
 from aiida.cmdline.utils.decorators import with_dbenv
 from aiida.common.exceptions import ValidationError
-from aiida.plugins.entry_point import get_entry_points
+from aiida.plugins.entry_point import get_entry_point_names
 from aiida.transports import cli as transport_cli
 
 
@@ -597,5 +597,5 @@ def computer_config_show(computer, user, defaults, as_option_string):
         echo.echo(tabulate.tabulate(table, tablefmt='plain'))
 
 
-for ep in get_entry_points('aiida.transports'):
-    computer_configure.add_command(transport_cli.create_configure_cmd(ep.name))
+for ep_name in get_entry_point_names('aiida.transports'):
+    computer_configure.add_command(transport_cli.create_configure_cmd(ep_name))

aiida/manage/database/integrity/plugins.py

@@ -96,8 +96,7 @@ class of `JobCalculation`, would get `calculation.job.quantumespresso.pw.PwCalcu
     :param type_strings: a set of type strings whose entry point is to be inferred
     :return: a mapping of current node type string to the inferred entry point name
     """
-    from reentry.entrypoint import EntryPoint
-    from aiida.plugins.entry_point import get_entry_points
+    from aiida.plugins.entry_point import get_entry_points, parse_entry_point
 
     prefix_calc_job = 'calculation.job.'
     entry_point_group = 'aiida.calculations'
@@ -109,7 +108,9 @@ class of `JobCalculation`, would get `calculation.job.quantumespresso.pw.PwCalcu
     # from the aiida-registry. Note that if entry points with the same name are found in both sets, the entry point
     # from the local environment is kept as leading.
     entry_points_local = get_entry_points(group=entry_point_group)
-    entry_points_registry = [EntryPoint.parse(entry_point) for entry_point in registered_calculation_entry_points]
+    entry_points_registry = [
+        parse_entry_point(entry_point_group, entry_point) for entry_point in registered_calculation_entry_points
+    ]
 
     entry_points = entry_points_local
     entry_point_names = [entry_point.name for entry_point in entry_points]

aiida/orm/nodes/node.py

@@ -199,8 +199,8 @@ def validate_storability(self) -> None:
         if not is_registered_entry_point(self.__module__, self.__class__.__name__, groups=('aiida.node', 'aiida.data')):
             raise exceptions.StoringNotAllowed(
                 f'class `{self.__module__}:{self.__class__.__name__}` does not have a registered entry point. '
-                'Consider running `reentry scan`. If the issue persists, check that the corresponding plugin is '
-                'installed and that the entry point shows up in `verdi plugin list`.'
+                'Check that the corresponding plugin is installed '
+                'and that the entry point shows up in `verdi plugin list`.'
             )
 
     @classproperty

aiida/orm/nodes/process/calculation/calcjob.py

@@ -67,7 +67,7 @@ def tools(self) -> 'CalculationTools':
         if self._tools is None:
             entry_point_string = self.process_type
 
-            if is_valid_entry_point_string(entry_point_string):
+            if entry_point_string and is_valid_entry_point_string(entry_point_string):
                 entry_point = get_entry_point_from_string(entry_point_string)
 
                 try:

aiida/plugins/__init__.py

@@ -32,6 +32,7 @@
     'WorkflowFactory',
     'load_entry_point',
     'load_entry_point_from_string',
+    'parse_entry_point',
 )
 
 # yapf: enable