Update Tox tests and dependencies

.github/workflows/test.yml

@@ -15,11 +15,11 @@ jobs:
     strategy:
       matrix:
         os: [ubuntu-latest, macos-latest, windows-latest]
-        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11']
+        python-version: ['3.7', '3.8', '3.9', '3.10', '3.11', '3.12']
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v4
       - name: Set up Python
-        uses: actions/setup-python@v2
+        uses: actions/setup-python@v5
         with:
           python-version: ${{ matrix.python-version }}
       - name: Display Python version

qeschema/cards.py

@@ -249,7 +249,7 @@ def labnl(nnum, lnum):
 
                     label = labnl(value['n2_number'], value['l2_number'])
                     if 'two' in background:
-                        label = f"{label}-{labnl(value['n3_number'],value['l3_number'])}"
+                        label = f"{label}-{labnl(value['n3_number'], value['l3_number'])}"
                     lines.append(f"U {specie}-{label}  {value['$']:8.3f}")
             elif tag == 'V':
                 speclab1 = f"{value['@specie1']}-{value['@label1']}"

qeschema/documents.py

@@ -14,7 +14,7 @@
 from functools import wraps
 from xml.etree import ElementTree
 import xmlschema
-from xmlschema import etree_tostring, XsdElement
+from xmlschema import etree_tostring
 
 try:
     import yaml

requirements-dev.txt

@@ -3,7 +3,7 @@ setuptools
 tox>=4.0
 flake8
 coverage
-xmlschema>=1.6.4, <4.0.0
+xmlschema>=2.5.1, <4.0.0
 pyyaml
 numpy
 h5py

setup.py

@@ -16,7 +16,7 @@
 setup(
     name='qeschema',
     version='1.5.2',
-    install_requires=['xmlschema>=1.6.4,<4.0.0', 'numpy'],
+    install_requires=['xmlschema>=2.5.1,<4.0.0', 'numpy'],
     extras_require={
         'HDF5': ['h5py'],
         'YAML': ['pyyaml'],
@@ -43,6 +43,7 @@
         'Programming Language :: Python :: 3.9',
         'Programming Language :: Python :: 3.10',
         'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
         'Programming Language :: Python :: Implementation :: CPython',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Utilities',

tox.ini

@@ -4,12 +4,12 @@
 # and then run "tox" from this directory.
 
 [tox]
-envlist = py{37,38,39,310,311}, docs, flake8, coverage
+envlist = py{37,38,39,310,311,312,312}, xmlschema{251,301,331}, docs, flake8, coverage
 skip_missing_interpreters = true
 
 [testenv]
 deps =
-    xmlschema>=1.6.4,<4.0.0
+    xmlschema>=2.5.1,<4.0.0
     pyyaml
     numpy
     h5py
@@ -19,6 +19,27 @@ deps =
 commands = python -m unittest
 allowlist_externals = make
 
+[testenv:xmlschema251]
+deps =
+    xmlschema==2.5.1
+    pyyaml
+    numpy
+    h5py
+
+[testenv:xmlschema301]
+deps =
+    xmlschema==3.0.1
+    pyyaml
+    numpy
+    h5py
+
+[testenv:xmlschema331]
+deps =
+    xmlschema==3.3.1
+    pyyaml
+    numpy
+    h5py
+
 [testenv:docs]
 commands =
     make -C docs html