Dependencies: Update requirement aiida-core~=2.1

.github/workflows/cd.yml

@@ -78,7 +78,7 @@ jobs:
             run: pip install -U pip wheel
 
         -   name: Install Python package and dependencies
-            run: pip install -e .[tests] && reentry scan
+            run: pip install -e .[tests]
 
         -   name: Run pytest
             run: pytest -sv tests

.github/workflows/ci.yml

@@ -56,7 +56,7 @@ jobs:
             run: pip install -U pip wheel
 
         -   name: Install Python package and dependencies
-            run: pip install -e .[tests] && reentry scan
+            run: pip install -e .[tests]
 
         -   name: Run pytest
             env:

aiida_common_workflows/cli/root.py

@@ -1,10 +1,11 @@
 # -*- coding: utf-8 -*-
 """Command line interface ``acwf``."""
+from aiida.cmdline.groups import VerdiCommandGroup
 from aiida.cmdline.params import options, types
 import click
 
 
-@click.group('acwf', context_settings={'help_option_names': ['-h', '--help']})
-@options.PROFILE(type=types.ProfileParamType(load_profile=True))
-def cmd_root(profile):  # pylint: disable=unused-argument
+@click.group('acwf', cls=VerdiCommandGroup, context_settings={'help_option_names': ['-h', '--help']})
+@options.PROFILE(type=types.ProfileParamType(load_profile=True), expose_value=False)
+def cmd_root():
     """CLI for the ``aiida-common-workflows`` plugin."""

pyproject.toml

@@ -22,27 +22,26 @@ keywords = ['aiida', 'workflows']
 requires-python = '>=3.8,<3.10'
 dependencies = [
     'abipy==0.9.6',
+    'aiida-ase',
     'aiida-abinit~=0.4.0',
-    'aiida-bigdft>=0.2.6',
-    'aiida-castep>=1.2.0a5',
-    'aiida-core[atomic_tools]~=1.6',
-    'aiida-cp2k~=1.6',
-    'aiida-fleur>=1.3.0',
-    'aiida-gaussian',
-    'aiida-nwchem>=2.1.0',
-    'aiida-orca',
-    'aiida-pseudo==0.6.5',
-    'aiida-quantumespresso~=3.4,>=3.4.1',
-    'aiida-siesta>=1.2.0',
-    'aiida-vasp~=2.2',
+    'aiida-bigdft~=0.3.0',
+    'aiida-castep~=2.0',
+    'aiida-core[atomic_tools]~=2.1',
+    'aiida-cp2k~=2.0',
+    'aiida-fleur~=2.0',
+    'aiida-gaussian~=2.0',
+    'aiida-nwchem~=3.0',
+    'aiida-orca~=0.6.0',
+    'aiida-pseudo~=1.0',
+    'aiida-quantumespresso~=4.0',
+    'aiida-siesta~=2.0',
+    'aiida-vasp~=3.0',
     'aiida-wien2k~=0.1.1',
-    'aiida-ase',
-    'pymatgen>=2022.1.20',
-    'numpy<1.24.0',
-    'sqlalchemy<1.4',
     'ase!=3.20.*',
+    'masci-tools~=0.9',
+    'numpy<1.24.0',
     'pint~=0.16',
-    'masci-tools~=0.9'
+    'pymatgen>=2022.1.20',
 ]
 
 [project.urls]