♻️ REFACTOR: Remove Django storage backend

.github/config/profile.yaml

@@ -1,14 +1,14 @@
 ---
-profile: PLACEHOLDER_PROFILE
+profile: test_aiida
 email: aiida@localhost
 first_name: Giuseppe
 last_name: Verdi
 institution: Khedivial
-db_backend: PLACEHOLDER_BACKEND
+db_backend: psql_dos
 db_engine: postgresql_psycopg2
 db_host: localhost
 db_port: 5432
-db_name: PLACEHOLDER_DATABASE_NAME
+db_name: test_aiida
 db_username: postgres
 db_password: ''
 broker_protocol: amqp
@@ -17,4 +17,4 @@ broker_password: guest
 broker_host: 127.0.0.1
 broker_port: 5672
 broker_virtual_host: ''
-repository: PLACEHOLDER_REPOSITORY
+repository: /tmp/test_repository_test_aiida/

.github/system_tests/test_polish_workchains.sh

@@ -15,10 +15,10 @@ VERDI=$(which verdi)
 
 if [ -n "$EXPRESSIONS" ]; then
     for expression in "${EXPRESSIONS[@]}"; do
-        $VERDI -p test_${AIIDA_TEST_BACKEND} run "${CLI_SCRIPT}" -X $CODE -C -F -d -t $TIMEOUT "$expression"
+        $VERDI -p test_aiida run "${CLI_SCRIPT}" -X $CODE -C -F -d -t $TIMEOUT "$expression"
     done
 else
     for i in $(seq 1 $NUMBER_WORKCHAINS); do
-        $VERDI -p test_${AIIDA_TEST_BACKEND} run "${CLI_SCRIPT}" -X $CODE -C -F -d -t $TIMEOUT
+        $VERDI -p test_aiida run "${CLI_SCRIPT}" -X $CODE -C -F -d -t $TIMEOUT
     done
 fi

.github/system_tests/test_profile_manager.py

@@ -76,7 +76,7 @@ def test_create_use_destroy_profile2(self):
         with self.assertRaises(TestManagerError):
             self.test_create_aiida_db()
 
-        self.profile_manager.reset_db()
+        self.profile_manager.clear_profile()
         with self.assertRaises(Exception):
             load_node(data_pk)
 

.github/workflows/benchmark-config.json

@@ -7,6 +7,10 @@
         "pytest-benchmarks:ubuntu-18.04,sqlalchemy": {
             "header": "Performance Benchmarks (Ubuntu-18.04, SQLAlchemy)",
             "description": "Performance benchmark tests, generated using pytest-benchmark."
+        },
+        "pytest-benchmarks:ubuntu-18.04,psql_dos": {
+            "header": "Performance Benchmarks (Ubuntu-18.04)",
+            "description": "Performance benchmark tests, generated using pytest-benchmark."
         }
     },
     "groups": {

.github/workflows/benchmark.yml

@@ -20,7 +20,6 @@ jobs:
         os: [ubuntu-18.04]
         postgres: ['12.3']
         rabbitmq: ['3.8.3']
-        backend: ['django', 'sqlalchemy']
 
     runs-on: ${{ matrix.os }}
     timeout-minutes: 60
@@ -29,7 +28,7 @@ jobs:
       postgres:
         image: "postgres:${{ matrix.postgres }}"
         env:
-          POSTGRES_DB: test_${{ matrix.backend }}
+          POSTGRES_DB: test_aiida
           POSTGRES_PASSWORD: ''
           POSTGRES_HOST_AUTH_METHOD: trust
         options: >-
@@ -79,15 +78,13 @@ jobs:
         pip freeze
 
     - name: Run benchmarks
-      env:
-        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
       run: pytest --benchmark-only --benchmark-json benchmark.json
 
     - name: Store benchmark result
       uses: aiidateam/github-action-benchmark@v3
       with:
-        benchmark-data-dir-path: "dev/bench/${{ matrix.os }}/${{ matrix.backend }}"
-        name: "pytest-benchmarks:${{ matrix.os }},${{ matrix.backend }}"
+        benchmark-data-dir-path: "dev/bench/${{ matrix.os }}/psql_dos"
+        name: "pytest-benchmarks:${{ matrix.os }},psql_dos"
         metadata: "postgres:${{ matrix.postgres }}, rabbitmq:${{ matrix.rabbitmq }}"
         output-file-path: benchmark.json
         render-json-path: .github/workflows/benchmark-config.json

.github/workflows/ci-code.yml

@@ -44,19 +44,18 @@ jobs:
     needs: [check-requirements]
 
     runs-on: ubuntu-latest
-    timeout-minutes: 30
+    timeout-minutes: 35
 
     strategy:
       fail-fast: false
       matrix:
         python-version: ['3.8', '3.10']
-        backend: ['django', 'sqlalchemy']
 
     services:
       postgres:
         image: postgres:10
         env:
-          POSTGRES_DB: test_${{ matrix.backend }}
+          POSTGRES_DB: test_aiida
           POSTGRES_PASSWORD: ''
           POSTGRES_HOST_AUTH_METHOD: trust
         options: >-
@@ -116,14 +115,11 @@ jobs:
         pip freeze
 
     - name: Setup environment
-      env:
-        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
       run:
         .github/workflows/setup.sh
 
     - name: Run test suite
       env:
-        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
         SQLALCHEMY_WARN_20: 1
       run:
         .github/workflows/tests.sh
@@ -132,8 +128,7 @@ jobs:
       if: matrix.python-version == 3.8 && github.repository == 'aiidateam/aiida-core'
       uses: codecov/codecov-action@v1
       with:
-        name: aiida-pytests-py3.8-${{ matrix.backend }}
-        flags: ${{ matrix.backend }}
+        name: aiida-pytests-py3.8
         file: ./coverage.xml
         fail_ci_if_error: false  # don't fail job, if coverage upload fails
 

.github/workflows/rabbitmq.yml

@@ -23,7 +23,7 @@ jobs:
             postgres:
                 image: postgres:10
                 env:
-                    POSTGRES_DB: test_django
+                    POSTGRES_DB: test_aiida
                     POSTGRES_PASSWORD: ''
                     POSTGRES_HOST_AUTH_METHOD: trust
                 options: >-

.github/workflows/release.yml

@@ -61,7 +61,7 @@ jobs:
       postgres:
         image: postgres:10
         env:
-          POSTGRES_DB: test_django
+          POSTGRES_DB: test_aiida
           POSTGRES_PASSWORD: ''
           POSTGRES_HOST_AUTH_METHOD: trust
         options: >-

.github/workflows/setup.sh

@@ -11,10 +11,6 @@ chmod 755 "${HOME}"
 # Replace the placeholders in configuration files with actual values
 CONFIG="${GITHUB_WORKSPACE}/.github/config"
 cp "${CONFIG}/slurm_rsa" "${HOME}/.ssh/slurm_rsa"
-sed -i "s|PLACEHOLDER_BACKEND|${AIIDA_TEST_BACKEND}|" "${CONFIG}/profile.yaml"
-sed -i "s|PLACEHOLDER_PROFILE|test_${AIIDA_TEST_BACKEND}|" "${CONFIG}/profile.yaml"
-sed -i "s|PLACEHOLDER_DATABASE_NAME|test_${AIIDA_TEST_BACKEND}|" "${CONFIG}/profile.yaml"
-sed -i "s|PLACEHOLDER_REPOSITORY|/tmp/test_repository_test_${AIIDA_TEST_BACKEND}/|" "${CONFIG}/profile.yaml"
 sed -i "s|PLACEHOLDER_WORK_DIR|${GITHUB_WORKSPACE}|" "${CONFIG}/localhost.yaml"
 sed -i "s|PLACEHOLDER_REMOTE_ABS_PATH_DOUBLER|${CONFIG}/doubler.sh|" "${CONFIG}/doubler.yaml"
 sed -i "s|PLACEHOLDER_SSH_KEY|${HOME}/.ssh/slurm_rsa|" "${CONFIG}/slurm-ssh-config.yaml"
@@ -33,5 +29,5 @@ verdi computer setup --non-interactive --config "${CONFIG}/slurm-ssh.yaml"
 verdi computer configure core.ssh slurm-ssh --non-interactive --config "${CONFIG}/slurm-ssh-config.yaml" -n  # needs slurm container
 verdi computer test slurm-ssh --print-traceback
 
-verdi profile setdefault test_${AIIDA_TEST_BACKEND}
+verdi profile setdefault test_aiida
 verdi config set runner.poll.interval 0

.github/workflows/test-install.yml

@@ -177,19 +177,18 @@ jobs:
 
     needs: [install-with-pip]
     runs-on: ubuntu-latest
-    timeout-minutes: 30
+    timeout-minutes: 35
 
     strategy:
       fail-fast: false
       matrix:
         python-version: ['3.8', '3.9', '3.10']
-        backend: ['django', 'sqlalchemy']
 
     services:
       postgres:
         image: postgres:10
         env:
-          POSTGRES_DB: test_${{ matrix.backend }}
+          POSTGRES_DB: test_aiida
           POSTGRES_PASSWORD: ''
           POSTGRES_HOST_AUTH_METHOD: trust
         options: >-
@@ -234,14 +233,12 @@ jobs:
     - run: pip freeze
 
     - name: Setup AiiDA environment
-      env:
-        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
       run:
         .github/workflows/setup.sh
 
     - name: Run test suite
       env:
-        AIIDA_TEST_BACKEND: ${{ matrix.backend }}
+        SQLALCHEMY_WARN_20: 1
       run:
         .github/workflows/tests.sh
 
@@ -252,7 +249,6 @@ jobs:
     # This artifact can be used in the next step to automatically create a pull request
     # updating the requirements (in case they are  inconsistent with the pyproject.toml file).
     - uses: actions/upload-artifact@v1
-      if: matrix.backend == 'django'  # The requirements are identical between backends.
       with:
         name: requirements.txt
         path: requirements-py-${{ matrix.python-version }}.txt

.github/workflows/tests.sh

@@ -9,7 +9,7 @@ export PYTHONPATH="${PYTHONPATH}:${SYSTEM_TESTS}:${MODULE_POLISH}"
 
 # daemon tests
 verdi daemon start 4
-verdi -p test_${AIIDA_TEST_BACKEND} run ${SYSTEM_TESTS}/test_daemon.py
+verdi -p test_aiida run ${SYSTEM_TESTS}/test_daemon.py
 bash ${SYSTEM_TESTS}/test_polish_workchains.sh
 verdi daemon stop
 
@@ -21,7 +21,7 @@ python ${SYSTEM_TESTS}/test_plugin_testcase.py  # uses custom unittest test runn
 
 # Until the `${SYSTEM_TESTS}/pytest` tests are moved within `tests` we have to run them separately and pass in the path to the
 # `conftest.py` explicitly, because otherwise it won't be able to find the fixtures it provides
-AIIDA_TEST_PROFILE=test_$AIIDA_TEST_BACKEND pytest --cov aiida --verbose tests/conftest.py ${SYSTEM_TESTS}/pytest
+AIIDA_TEST_PROFILE=test_aiida pytest --cov aiida --verbose tests/conftest.py ${SYSTEM_TESTS}/pytest
 
 # main aiida-core tests
-AIIDA_TEST_PROFILE=test_$AIIDA_TEST_BACKEND pytest --cov aiida --verbose tests
+AIIDA_TEST_PROFILE=test_aiida pytest --cov aiida --verbose tests

.molecule/README.md

@@ -12,7 +12,7 @@ The simplest way to run these tests is to use the `tox` environment provided in
 
 ```console
 $ pip install tox
-$ tox -e molecule-django
+$ tox -e molecule
 ```
 
 **NOTE**: if you wan to run molecule directly, ensure that you set `export MOLECULE_GLOB=.molecule/*/config_local.yml`.
@@ -29,32 +29,25 @@ This runs the `test` scenario (defined in `config_local.yml`) which:
 If you wish to setup the container for manual inspection (i.e. only run steps 2 - 4) you can run:
 
 ```console
-$ tox -e molecule-django converge
+$ tox -e molecule converge
 ```
 
 Then you can jump into this container or run the tests (step 5) separately with:
 
 ```console
-$ tox -e molecule-django validate
+$ tox -e molecule validate
 ```
 
 and finally run step 6:
 
 ```console
-$ tox -e molecule-django destroy
-```
-
-You can set up the aiida profile with either django or sqla,
-and even run both in parallel:
-
-```console
-$ tox -e molecule-django,molecule-sqla -p -- test --parallel
+$ tox -e molecule destroy
 ```
 
 ## Additional variables
 
 You can specify the number of daemon workers to spawn using the `AIIDA_TEST_WORKERS` environment variable:
 
 ```console
-$ AIIDA_TEST_WORKERS=4 tox -e molecule-django
+$ AIIDA_TEST_WORKERS=4 tox -e molecule
 ```

.molecule/default/config_local.yml

@@ -22,14 +22,14 @@ scenario:
 driver:
   name: docker
 platforms:
-- name: molecule-aiida-${AIIDA_TEST_BACKEND:-django}
+- name: molecule-aiida-${AIIDA_TEST_BACKEND:-psql_dos}
   image: molecule_tests
   context: "../.."
   command: /sbin/my_init
   healthcheck:
     test: wait-for-services
   volumes:
-  - molecule-pip-cache-${AIIDA_TEST_BACKEND:-django}:/home/.cache/pip
+  - molecule-pip-cache-${AIIDA_TEST_BACKEND:-psql_dos}:/home/.cache/pip
   privileged: true
   retries: 3
 # configuration for how to run the playbooks
@@ -63,7 +63,7 @@ provisioner:
           aiida_pip_cache: /home/.cache/pip
           venv_bin: /opt/conda/bin
           ansible_python_interpreter: "{{ venv_bin }}/python"
-          aiida_backend: ${AIIDA_TEST_BACKEND:-django}
+          aiida_backend: ${AIIDA_TEST_BACKEND:-psql_dos}
           aiida_workers: ${AIIDA_TEST_WORKERS:-2}
-          aiida_path: /tmp/.aiida_${AIIDA_TEST_BACKEND:-django}
+          aiida_path: /tmp/.aiida_${AIIDA_TEST_BACKEND:-psql_dos}
           aiida_query_stats: true

.pre-commit-config.yaml

@@ -86,7 +86,6 @@ repos:
                 aiida/orm/implementation/nodes.py|
                 aiida/orm/implementation/users.py|
                 aiida/orm/implementation/sql/backends.py|
-                aiida/orm/implementation/django/backend.py|
                 aiida/orm/implementation/sqlalchemy/backend.py|
                 aiida/orm/implementation/querybuilder.py|
                 aiida/orm/implementation/sqlalchemy/querybuilder/.*py|

Dockerfile

@@ -9,7 +9,7 @@ ENV USER_EMAIL aiida@localhost
 ENV USER_FIRST_NAME Giuseppe
 ENV USER_LAST_NAME Verdi
 ENV USER_INSTITUTION Khedivial
-ENV AIIDADB_BACKEND django
+ENV AIIDADB_BACKEND psql_dos
 
 # Copy and install AiiDA
 COPY . aiida-core

aiida/__init__.py

@@ -21,7 +21,7 @@
 More information at http://www.aiida.net
 """
 from aiida.common.log import configure_logging
-from aiida.manage.configuration import get_config_option, get_profile, load_profile
+from aiida.manage.configuration import get_config_option, get_profile, load_profile, profile_context
 
 __copyright__ = (
     'Copyright (c), This file is part of the AiiDA platform. '
@@ -48,31 +48,29 @@ def get_strict_version():
     return StrictVersion(__version__)
 
 
-def get_version():
+def get_version() -> str:
     """
     Return the current AiiDA distribution version
 
     :returns: the current version
-    :rtype: str
     """
     return __version__
 
 
-def _get_raw_file_header():
+def _get_raw_file_header() -> str:
     """
     Get the default header for source AiiDA source code files.
     Note: is not preceded by comment character.
 
     :return: default AiiDA source file header
-    :rtype: str
     """
     return f"""This file has been created with AiiDA v. {__version__}
 If you use AiiDA for publication purposes, please cite:
 {__paper__}
 """
 
 
-def get_file_header(comment_char='# '):
+def get_file_header(comment_char: str = '# ') -> str:
     """
     Get the default header for source AiiDA source code files.
 
@@ -81,10 +79,8 @@ def get_file_header(comment_char='# '):
         Prepend by comment character.
 
     :param comment_char: string put in front of each line
-    :type comment_char: str
 
     :return: default AiiDA source file header
-    :rtype: str
     """
     lines = _get_raw_file_header().splitlines()
     return '\n'.join(f'{comment_char}{line}' for line in lines)