Update Tox and CI tests

  - Bump minor version
  - Add tests for Python 3.11
  - Update dev requirements with tox>=4.0
  - Remove {homedir} from tox.ini
  - Replace whitelist_externals with allowlist_externals in tox.ini
  - Exclude Python 3.7 from flake8 CI tests (not compatible)

.github/workflows/test.yml

@@ -15,7 +15,7 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.7', '3.8', '3.9', '3.10']
+        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
     steps:
       - uses: actions/checkout@v2
       - name: Set up Python
@@ -29,6 +29,7 @@ jobs:
           python -m pip install --upgrade pip
           pip install -r requirements-dev.txt
       - name: Lint with flake8
+        if: ${{ matrix.python-version != '3.7' }}
         run: |
           flake8 qeschema --max-line-length=100 --statistics
       - name: Run tests

docs/conf.py

@@ -18,11 +18,11 @@
 # -- Project information -----------------------------------------------------
 
 project = 'qeschema'
-copyright = '2015-2022, Quantum Espresso Foundation and SISSA'
+copyright = '2015-2023, Quantum Espresso Foundation and SISSA'
 author = 'Davide Brunato, Pietro Delugas'
 
 # The full version, including alpha/beta/rc tags
-release = '1.4.0'
+release = '1.5.0'
 
 
 # -- General configuration ---------------------------------------------------

qeschema/__init__.py

@@ -14,7 +14,7 @@
 from .exceptions import QESchemaError, XmlDocumentError
 from .utils import set_logger
 
-__version__ = '1.4.0'
+__version__ = '1.5.0'
 
 __all__ = [
     'XmlDocument', 'QeDocument', 'PwDocument', 'PhononDocument', 'NebDocument',

requirements-dev.txt

@@ -1,6 +1,6 @@
 # Requirements for setup a development environment for the qeschema package.
 setuptools
-tox
+tox>=4.0
 flake8
 coverage
 xmlschema>=1.6.4

setup.py

@@ -15,7 +15,7 @@
 
 setup(
     name='qeschema',
-    version='1.4.0',
+    version='1.5.0',
     install_requires=['xmlschema>=1.6.4', 'numpy'],
     extras_require={
         'HDF5': ['h5py'],
@@ -41,6 +41,7 @@
         'Programming Language :: Python :: 3.8',
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
+        'Programming Language :: Python :: 3.11',
         'Programming Language :: Python :: Implementation :: CPython',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Utilities',

tox.ini

@@ -4,9 +4,8 @@
 # and then run "tox" from this directory.
 
 [tox]
-envlist = py{37,38,39,310}, docs, flake8, coverage
+envlist = py{37,38,39,310,311}, docs, flake8, coverage
 skip_missing_interpreters = true
-toxworkdir = {homedir}/.tox/qeschema
 
 [testenv]
 deps =
@@ -18,7 +17,7 @@ deps =
     docs: sphinx_rtd_theme
     coverage: coverage
 commands = python -m unittest
-whitelist_externals = make
+allowlist_externals = make
 
 [testenv:docs]
 commands =