⬆️ Update for aiida-core v2 (#40)

Author: chrisjsewell

.github/workflows/ci.yml

@@ -1,6 +1,9 @@
 name: ci
 
-on: [push, pull_request]
+on:
+  push:
+    branches: [master]
+  pull_request:
 
 jobs:
 
@@ -10,7 +13,7 @@ jobs:
     strategy:
       matrix:
         python-version: ["3.8"]
-        aiida-version: ["stable", "develop"]
+        aiida-version: ["stable"]
 
     services:
       postgres:
@@ -39,20 +42,11 @@ jobs:
       with:
         python-version: ${{ matrix.python-version }}
 
-    - name: Install aiida develop version
-      run: |
-        pip install git+git://github.com/aiidateam/aiida-core
-      if: ${{ matrix.aiida-version == 'develop' }}
-
     - name: Install python dependencies
       run: |
         pip install --upgrade pip
         pip install -e .[testing]
 
-    - name: Run reentry scan
-      run: reentry scan
-      if: ${{ matrix.aiida-version != 'develop' }}
-
     - name: Run test suite
       env:
         # show timings of tests
@@ -72,7 +66,6 @@ jobs:
       run: |
         pip install --upgrade pip
         pip install -e .[docs]
-        reentry scan -r aiida
     - name: Build docs
       run: cd docs && make
 
@@ -88,8 +81,7 @@ jobs:
     - name: Install python dependencies
       run: |
         pip install --upgrade pip
-        pip install -e .[pre-commit,docs,testing]
-        reentry scan -r aiida
+        pip install -e .[pre-commit,testing]
     - name: Run pre-commit
       run: |
         pre-commit install

.gitignore

@@ -12,3 +12,4 @@
 build/
 dist/
 pip-wheel-metadata/
+.tox/

.pre-commit-config.yaml

@@ -21,7 +21,7 @@ repos:
     - id: isort
 
 - repo: https://github.com/psf/black
-  rev: 21.12b0
+  rev: 22.3.0
   hooks:
     - id: black
 

README.md

@@ -52,7 +52,7 @@ For more information, see the [developer guide](https://aiida-diff.readthedocs.i
 
  * Add input files using `SinglefileData`:
    ```python
-   SinglefileData = DataFactory('singlefile')
+   SinglefileData = DataFactory('core.singlefile')
    inputs['file1'] = SinglefileData(file='/path/to/file1')
    inputs['file2'] = SinglefileData(file='/path/to/file2')
    ```

aiida_diff/__init__.py

@@ -4,4 +4,4 @@
 AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
 """
 
-__version__ = "1.2.0"
+__version__ = "2.0.0"

aiida_diff/helpers.py

@@ -42,7 +42,7 @@ def get_computer(name=LOCALHOST_NAME, workdir=None):
     :param workdir: path to work directory
         Used only when creating a new computer.
     :return: The computer node
-    :rtype: :py:class:`aiida.orm.Computer`
+    :rtype: :py:class:`aiida.orm.computers.Computer`
     """
 
     try:
@@ -73,7 +73,7 @@ def get_code(entry_point, computer):
     :param entry_point: Entry point of calculation plugin
     :param computer: (local) AiiDA computer
     :return: The code node
-    :rtype: :py:class:`aiida.orm.Code`
+    :rtype: :py:class:`aiida.orm.nodes.data.code.Code`
     """
 
     try:

aiida_diff/parsers.py

@@ -24,7 +24,7 @@ def __init__(self, node):
         Checks that the ProcessNode being passed was produced by a DiffCalculation.
 
         :param node: ProcessNode of calculation
-        :param type node: :class:`aiida.orm.ProcessNode`
+        :param type node: :class:`aiida.orm.nodes.process.process.ProcessNode`
         """
         super().__init__(node)
         if not issubclass(node.process_class, DiffCalculation):
@@ -39,7 +39,7 @@ def parse(self, **kwargs):
         output_filename = self.node.get_option("output_filename")
 
         # Check that folder content is as expected
-        files_retrieved = self.retrieved.list_object_names()
+        files_retrieved = self.retrieved.base.repository.list_object_names()
         files_expected = [output_filename]
         # Note: set(A) <= set(B) checks whether A is a subset of B
         if not set(files_expected) <= set(files_retrieved):
@@ -50,7 +50,7 @@ def parse(self, **kwargs):
 
         # add output file
         self.logger.info(f"Parsing '{output_filename}'")
-        with self.retrieved.open(output_filename, "rb") as handle:
+        with self.retrieved.base.repository.open(output_filename, "rb") as handle:
             output_node = SinglefileData(file=handle)
         self.out("diff", output_node)
 

conftest.py

@@ -5,7 +5,7 @@
 
 
 @pytest.fixture(scope="function", autouse=True)
-def clear_database_auto(clear_database):  # pylint: disable=unused-argument
+def clear_database_auto(aiida_profile_clean):  # pylint: disable=unused-argument
     """Automatically clear database in between tests."""
 
 

docs/source/conf.py

@@ -14,19 +14,13 @@
 import sys
 import time
 
-from reentry import manager
-
 from aiida.manage.configuration import load_documentation_profile
 
 import aiida_diff
 
 # -- AiiDA-related setup --------------------------------------------------
 
-# ensure all entry point plugins are lodaed
-manager.scan()
-
-# Load the dummy profile even if we are running locally, this way the documentation will succeed even if the current
-# default profile of the AiiDA installation does not use a Django backend.
+# Load the dummy documentation profile
 load_documentation_profile()
 
 # -- General configuration ------------------------------------------------
@@ -49,7 +43,7 @@
 
 intersphinx_mapping = {
     "python": ("https://docs.python.org/3", None),
-    "aiida": ("https://aiida-core.readthedocs.io/en/latest", None),
+    "aiida": ("https://aiida.readthedocs.io/projects/aiida-core/en/latest", None),
 }
 
 # Add any paths that contain templates here, relative to this directory.

docs/source/developer_guide/index.rst

@@ -44,7 +44,7 @@ Continuous integration
 
 ``aiida-diff`` comes with a ``.github`` folder that contains continuous integration tests on every commit using `GitHub Actions <https://github.com/features/actions>`_. It will:
 
-#. run all tests for the ``django`` ORM
+#. run all tests
 #. build the documentation
 #. check coding style and version number (not required to pass by default)