Support Python 3.12, drop 3.8

.github/workflows/ci.yml

@@ -7,7 +7,7 @@ jobs:
 
     strategy:
       matrix:
-        python-version: ["3.11"]
+        python-version: ["3.12"]
 
     steps:
       - name: Checkout code
@@ -36,7 +36,7 @@ jobs:
 
     strategy:
       matrix:
-        python-version: ["3.8", "3.9", "3.10", "3.11"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
 
     services:
       postgres:
@@ -75,7 +75,10 @@ jobs:
         uses: codecov/codecov-action@v3
         with:
           token: ${{ secrets.CODECOV_TOKEN }}
-          fail_ci_if_error: true
+          # secrets and env are not accessible for PR from fork, therefore codecov
+          # would fail during tests. Now ignore failed codecov upload in PR, they
+          # will be uploaded during the test on main branch after PR merge.
+          fail_ci_if_error: false
           verbose: true
           working-directory: tests
 
@@ -84,7 +87,7 @@ jobs:
 
     strategy:
       matrix:
-        python-version: ["3.8"]
+        python-version: ["3.12"]
 
     steps:
       - name: Checkout code

.pre-commit-config.yaml

@@ -2,7 +2,7 @@
 # pre-commit install
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.4.0
+    rev: v4.6.0
     hooks:
       - id: end-of-file-fixer
         exclude: &exclude_txtfiles >-
@@ -27,25 +27,25 @@ repos:
       - id: check-toml
 
   - repo: https://github.com/asottile/pyupgrade
-    rev: v3.8.0
+    rev: v3.15.2
     hooks:
       - id: pyupgrade
         args: ["--py37-plus"]
 
   - repo: https://github.com/ikamensh/flynt/
-    rev: "0.78"
+    rev: "1.0.1"
     hooks:
       - id: flynt
         args: ["--line-length=120", "--fail-on-change"]
 
   - repo: https://github.com/PyCQA/isort
-    rev: 5.12.0
+    rev: 5.13.2
     hooks:
       - id: isort
         additional_dependencies: ["toml"]
 
   - repo: https://github.com/psf/black
-    rev: 23.3.0
+    rev: 24.4.2
     hooks:
       - id: black
 
@@ -61,7 +61,7 @@ repos:
         args: ["--ignore=D104,D202,D203,D213"]
 
   - repo: https://github.com/PyCQA/pylint
-    rev: v3.0.0a6
+    rev: v3.1.0
     hooks:
       - id: pylint
         language: system

.readthedocs.yml

@@ -14,7 +14,7 @@ formats: []
 
 # Optionally set the version of Python and requirements required to build your docs
 python:
-  version: 3.8
+  version: 3
   install:
     - method: pip
       path: .

docs/source/conf.py

@@ -25,12 +25,11 @@
 import os
 import time
 
-# Note: this requires AiiDA v1.1+
-from aiida.manage.configuration import load_documentation_profile
+from aiida.manage.configuration import Profile, load_profile
 
-import aiida_wannier90
+load_profile(Profile("docs", {"process_control": {}, "storage": {}}))
 
-load_documentation_profile()
+import aiida_wannier90
 
 # -- General configuration ------------------------------------------------
 

pyproject.toml

@@ -27,16 +27,16 @@ classifiers = [
     "Operating System :: POSIX :: Linux",
     "Operating System :: MacOS :: MacOS X",
     "Programming Language :: Python",
-    "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",
     "Natural Language :: English",
     "Topic :: Scientific/Engineering :: Physics",
     "Intended Audience :: Science/Research"
 ]
 keywords = ["aiida", "plugin", "wannier90"]
-requires-python = ">=3.8"
+requires-python = ">=3.9"
 dependencies = ["aiida-core>=2.0,<3"]
 
 [project.urls]
@@ -53,7 +53,7 @@ tests = [
 ]
 pre-commit = [
     "pre-commit",
-    "pylint",
+    "pylint>=3",
     "yapf>=0.28",
     "prospector>=1.3.1",
     "ruamel.yaml"
@@ -171,12 +171,12 @@ known_aiida_quantumespresso = ['aiida_quantumespresso']
 [tool.tox]
 legacy_tox_ini = """
 [tox]
-envlist = py38
+envlist = py39
 
 [testenv]
 usedevelop=True
 
-[testenv:py{38,39,310}]
+[testenv:py{39,310,311,312}]
 description = Run the test suite against a python version
 extras = testing
 commands = pytest {posargs}

src/aiida_wannier90/calculations/__init__.py

@@ -1,4 +1,5 @@
 """Calculation classes for the aiida-wannier90 plugin."""
+
 from .postw90 import Postw90Calculation
 from .wannier90 import Wannier90Calculation
 

src/aiida_wannier90/calculations/postw90.py

@@ -1,4 +1,5 @@
 """Calculation class for the postw90.x code of Wannier90."""
+
 import fnmatch
 import os
 

src/aiida_wannier90/parsers/__init__.py

@@ -1,4 +1,5 @@
 """Parsers for the Wannier90 plugin."""
+
 from .postw90 import Postw90Parser
 from .wannier90 import Wannier90Parser