Bump default SSSP version in protocol to v1.3

.github/workflows/ci.yml

@@ -131,7 +131,7 @@ jobs:
             run: verdi code create core.code.installed -n --config .github/config/code-ph.yaml --filepath-executable $(which ph.x)
 
         -   name: Setup SSSP
-            run: aiida-pseudo install sssp -v 1.2 -x PBEsol -p efficiency
+            run: aiida-pseudo install sssp -v 1.3 -x PBEsol -p efficiency
 
         -   name: Run test script
             run: python .github/scripts/run_documentation_scripts.py

docs/source/howto/calculations/pw.md

@@ -207,7 +207,7 @@ from ase.build import bulk
 from aiida.orm import StructureData, load_code, load_group
 
 # Load the pseudopotential family whose pseudos to use
-family = load_group('SSSP/1.1/PBE/effiency')
+family = load_group('SSSP/1.3/PBEsol/effiency')
 structure = StructureData(ase=bulk('GaAs', 'fcc', 5.4))
 
 builder = load_code('pw').get_builder()
@@ -226,7 +226,7 @@ from ase.build import bulk
 from aiida.orm import StructureData, load_code, load_group
 
 # Load the pseudopotential family whose pseudos to use
-family = load_group('SSSP/1.1/PBE/effiency')
+family = load_group('SSSP/1.3/PBEsol/effiency')
 structure = StructureData(ase=bulk('GaAs', 'fcc', 5.4))
 
 builder = load_code('pw').get_builder()

docs/source/installation/index.md

@@ -212,10 +212,10 @@ $ pip install aiida-pseudo
 ```
 
 At a minimum, at least one pseudo potential family should be installed.
-We recommend using the [SSSP] with the PBEsol functional:
+We recommend using the [SSSP] v1.3 with the PBEsol functional:
 
 ```console
-$ aiida-pseudo install sssp -x PBEsol
+$ aiida-pseudo install sssp -v 1.3 -x PBEsol
 ```
 
 For more detailed information on installing other pseudo potential families, please refer to the documentation of [aiida-pseudo].

pyproject.toml

@@ -23,7 +23,7 @@ keywords = ['aiida', 'workflows']
 requires-python = '>=3.8'
 dependencies = [
     'aiida_core[atomic_tools]~=2.3',
-    'aiida-pseudo~=1.0',
+    'aiida-pseudo~=1.1',
     'click~=8.0',
     'importlib_resources',
     'jsonschema',

src/aiida_quantumespresso/workflows/protocols/pw/base.yaml

@@ -6,7 +6,7 @@ default_inputs:
     meta_parameters:
         conv_thr_per_atom: 0.2e-9
         etot_conv_thr_per_atom: 1.e-5
-    pseudo_family: 'SSSP/1.2/PBEsol/efficiency'
+    pseudo_family: 'SSSP/1.3/PBEsol/efficiency'
     pw:
         metadata:
             options:
@@ -38,7 +38,7 @@ protocols:
         meta_parameters:
             conv_thr_per_atom: 0.1e-9
             etot_conv_thr_per_atom: 0.5e-5
-        pseudo_family: 'SSSP/1.2/PBEsol/precision'
+        pseudo_family: 'SSSP/1.3/PBEsol/precision'
         pw:
             parameters:
                 CONTROL:

tests/conftest.py

@@ -171,7 +171,7 @@ def sssp(aiida_profile, generate_upf_data):
                 'cutoff_rho': 240.0,
             }
 
-        label = 'SSSP/1.2/PBEsol/efficiency'
+        label = 'SSSP/1.3/PBEsol/efficiency'
         family = SsspFamily.create_from_folder(dirpath, label)
 
     family.set_cutoffs(cutoffs, stringency, unit='Ry')