Merge branch 'develop' into fix_allocate

.github/workflows/main.yml

@@ -60,7 +60,7 @@ jobs:
         uses: codecov/codecov-action@v1
       - name: archive test results
         if: ${{ always() }}
-        uses: actions/upload-artifact@v2
+        uses: actions/upload-artifact@v4
         with:
           name: test-results_parallel=${{ matrix.w90-binary-parallel }}
           path: |

.pre-commit-config.yaml

@@ -26,7 +26,7 @@ repos:
         tutorials/tutorial\d\d[-]?\w*/.+win|
         src/.+
       )$
-- repo: https://github.com/pseewald/fprettify
+- repo: https://github.com/fortran-lang/fprettify
   rev: v0.3.3
   hooks:
   - id: fprettify

docs/docs/parameters/generate-parameter-tables.py

@@ -0,0 +1,42 @@
+import xml.etree.ElementTree as ET
+
+
+groups = {
+    'w90': [
+        'disentanglement',
+        'job',
+        'plot',
+        'system',
+        'transport',
+        'wannierise',
+    ],
+    'postw90': [
+        'berry',
+        'boltzwann',
+        'dos',
+        'geninterp',
+        'global',
+        'gyrotropic',
+        'kpath',
+        'kslice',
+    ],
+}
+
+tree = ET.parse('parameters.xml')
+root = tree.getroot()
+
+for tool in ['w90', 'postw90']:
+    for group in groups[tool]:
+        parameters = root.findall(f'./parameter[@tool="{tool}"][@group="{group}"]')
+        with open(f'{tool}-{group}-parameters.csv', 'w') as fp:
+            print('Keyword,Type,Description', file=fp)
+            for parameter in parameters:
+                name = parameter.find('name')
+                type = parameter.find('type')
+                description = parameter.find('description')
+                if 'optional_prefix' in name.attrib:
+                    print(f'[{name.attrib["optional_prefix"]}]{name.text},', end='', file=fp)
+                else:
+                    print(f'{name.text},', end='', file=fp)
+                print(f'{type.text},', end='', file=fp)
+                print(f'"{description.text}"', file=fp)