116 dependabot tests failing for python38 (aiidaplugins#119)

Pinning the jsonschema version that was causing the tests to fail for python>3.8 Dropped python 3.8 support. Made changes to account for the removal of the `load_documentation_profile` in aiida-core. --------- Co-authored-by: Jonathan Chico <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
JPchico · Apr 10, 2024 · b6cc218 · b6cc218
1 parent 2e3bfce
commit b6cc218
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diff --git a/.github/workflows/cd.yml b/.github/workflows/cd.yml
@@ -14,7 +14,7 @@ jobs:
       - name: Set up Python
         uses: actions/[email protected]
         with:
-          python-version: "3.8"
+          python-version: "3.9"
       - name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version.
         run: pip install "virtualenv>20"
       - name: Install Tox
@@ -29,26 +29,22 @@ jobs:
       fail-fast: false
       matrix:
         include:
-          - python-version: "3.8"
-            lammps-version: "2020.12.24"
-            backend: django
-          - python-version: "3.8"
-            lammps-version: "2020.12.24"
-            backend: sqlalchemy
           - python-version: "3.9"
             lammps-version: "2020.12.24"
-            backend: django
+          - python-version: "3.9"
+            lammps-version: "2022.06.23"
           - python-version: "3.10"
-            lammps-version: "2021.09.29"
-            backend: django
+            lammps-version: "2022.06.23"
+          - python-version: "3.11"
+            lammps-version: "2022.06.23"
 
     runs-on: ubuntu-latest
 
     services:
       postgres:
         image: postgres:12
         env:
-          POSTGRES_DB: test_${{ matrix.backend }}
+          POSTGRES_DB: test
           POSTGRES_PASSWORD: ""
           POSTGRES_HOST_AUTH_METHOD: trust
         options: >-
@@ -86,7 +82,7 @@ jobs:
           tox -e ${{ matrix.python-version }}-aiida_lammps -- tests/ --cov=./aiida_lammps --cov-append --cov-report=xml --cov-report=term-missing
 
       - name: Upload to Codecov
-        if: matrix.python-version == 3.8
+        if: matrix.python-version == 3.10
         uses: codecov/codecov-action@v3
         with:
           token: ${{ secrets.CODECOV_TOKEN }}
@@ -102,10 +98,10 @@ jobs:
     steps:
       - name: Checkout source
         uses: actions/[email protected]
-      - name: Set up Python 3.8
+      - name: Set up Python 3.9
         uses: actions/[email protected]
         with:
-          python-version: "3.8"
+          python-version: "3.9"
       - name: install flit
         run: |
           pip install flit~=3.4

diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -12,7 +12,7 @@ jobs:
       - name: Set up Python
         uses: actions/[email protected]
         with:
-          python-version: "3.8"
+          python-version: "3.9"
       - name: Make sure virtualevn>20 is installed, which will yield newer pip and possibility to pin pip version.
         run: pip install "virtualenv>20"
       - name: Install Tox
@@ -28,16 +28,14 @@ jobs:
       fail-fast: false
       matrix:
         include:
-          - python-version: "3.8"
-            lammps-version: "2020.03.03"
-          - python-version: "3.8"
-            lammps-version: "2020.12.24"
           - python-version: "3.9"
             lammps-version: "2020.12.24"
           - python-version: "3.9"
-            lammps-version: "2020.03.03"
+            lammps-version: "2022.06.23"
           - python-version: "3.10"
-            lammps-version: "2021.09.29"
+            lammps-version: "2022.06.23"
+          - python-version: "3.11"
+            lammps-version: "2022.06.23"
 
     runs-on: ubuntu-latest
 
@@ -87,7 +85,7 @@ jobs:
           tox -e ${{ matrix.python-version }}-aiida_lammps -- tests/ --cov=./aiida_lammps --cov-append --cov-report=xml --cov-report=term-missing
 
       - name: Upload to Codecov
-        if: matrix.python-version == 3.8
+        if: matrix.python-version == 3.10
         uses: codecov/codecov-action@v3
         with:
           token: ${{ secrets.CODECOV_TOKEN }}

diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -4,10 +4,11 @@
 `tox -e docs-clean` and `tox -e docs-update`,
 or directly: `sphinx-build -n -W --keep-going docs/source docs/_build`
 """
+
 import pathlib
 import time
 
-from aiida.manage.configuration import load_documentation_profile
+from aiida.manage.configuration import Profile, load_profile
 
 from aiida_lammps import __version__
 
@@ -16,7 +17,7 @@
 # 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_documentation_profile()
+load_profile(Profile("docs", {"process_control": {}, "storage": {}}))
 
 project = "AiiDA LAMMPS"
 copyright = f"2021-{time.localtime().tm_year}, AiiDA Team. All rights reserved"

diff --git a/docs/source/developers/index.md b/docs/source/developers/index.md
@@ -32,7 +32,7 @@ The test suite can be run in an isolated, virtual environment using `tox` (see `
 
 ```console
 pip install tox
-tox -e 3.8-aiida_lammps
+tox -e 3.9-aiida_lammps
 ```
 
 or directly:
@@ -57,7 +57,7 @@ conda install lammps==2019.06.05
 You can specify a different executable name for LAMMPS with:
 
 ```console
-tox -e 3.8-aiida_lammps -- --lammps-exec lmp_exec
+tox -e 3.9-aiida_lammps -- --lammps-exec lmp_exec
 ```
 
 To output the results of calcjob executions to a specific directory:

diff --git a/pyproject.toml b/pyproject.toml
@@ -5,30 +5,34 @@ build-backend = "flit_core.buildapi"
 [project]
 name = "aiida-lammps"
 dynamic = ["version", "description"]
-authors = [{name = "Chris Sewell", email = "[email protected]"}, {name = "Jonathan Chico", email = "[email protected]"}]
+authors = [
+    { name = "Chris Sewell", email = "[email protected]" },
+    { name = "Jonathan Chico", email = "[email protected]" },
+]
 readme = "README.md"
-license = {file = "LICENSE"}
+license = { file = "LICENSE" }
 classifiers = [
     "Development Status :: 4 - Beta",
     "License :: OSI Approved :: MIT License",
     "Programming Language :: Python",
     "Programming Language :: Python :: 3",
-    "Programming Language :: Python :: 3.8",
     "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
     "Topic :: Scientific/Engineering :: Chemistry",
     "Topic :: Scientific/Engineering :: Physics",
-    "Framework :: AiiDA"
+    "Framework :: AiiDA",
 ]
 keywords = ["aiida", "workflows", "lammps"]
-requires-python = ">=3.8"
+requires-python = ">=3.9"
 dependencies = [
-    "aiida-core[atomic_tools]>=2.0.0,<3.0.0",
+    "aiida-core[atomic_tools]~=2.3",
     "importlib_resources",
-    "jsonschema",
+    "jsonschema~=3.2.0",
     "numpy",
     "packaging",
-    "python-dateutil"
+    "python-dateutil",
 ]
 
 [project.urls]
@@ -43,7 +47,7 @@ tests = [
     "pytest-cov",
     "coverage",
     "pytest-timeout",
-    "pytest-regressions"
+    "pytest-regressions",
 ]
 
 pre-commit = [
@@ -62,7 +66,7 @@ docs = [
     'sphinxcontrib-details-directive~=0.1.0',
     'sphinx-autoapi~=3.0',
     'myst_parser~=1.0.0',
-    "furo"
+    "furo",
 ]
 
 [project.entry-points."aiida.calculations"]
@@ -86,15 +90,12 @@ docs = [
 name = "aiida_lammps"
 
 [tool.flit.sdist]
-exclude = [
-    "docs/",
-    "tests/",
-]
+exclude = ["docs/", "tests/"]
 
 [tool.coverage.run]
 # Configuration of [coverage.py](https://coverage.readthedocs.io)
 # reporting which lines of your plugin are covered by tests
-source=["aiida_lammps"]
+source = ["aiida_lammps"]
 
 [tool.isort]
 skip = ["venv"]
@@ -112,7 +113,7 @@ profile = "black"
 [tool.tox]
 legacy_tox_ini = """
 [tox]
-envlist = pre-commit,{3.8,3.9,3.10}-aiida_lammps
+envlist = pre-commit,{3.9,3.10,3.11}-aiida_lammps
 requires = virtualenv >= 20
 isolated_build = True