Add support for Pseudo-dojo v0.5

Add the various configurations/urls for Pseudo-dojo v0.5, and
add the option to the CLI install command.

Since the `.djrepo` files are missing the `hints` generated
using the delta factor, fall back on the `ppgen_hints` provided
by ONCVPSP in this case.

Cherry-pick: 2796a7f

aiida_pseudo/cli/install.py

@@ -261,7 +261,7 @@ def cmd_install_sssp(version, functional, protocol, download_only, traceback):
 
 
 @cmd_install.command('pseudo-dojo')
-@options.VERSION(type=click.Choice(['0.4', '1.0']), default='0.4', show_default=True)
+@options.VERSION(type=click.Choice(['0.4', '0.5', '1.0']), default='0.4', show_default=True)
 @options.FUNCTIONAL(type=click.Choice(['PBE', 'PBEsol', 'LDA']), default='PBE', show_default=True)
 @options.RELATIVISTIC(type=click.Choice(['SR', 'SR3plus', 'FR']), default='SR', show_default=True)
 @options.PROTOCOL(type=click.Choice(['standard', 'stringent']), default='standard', show_default=True)

aiida_pseudo/groups/family/pseudo_dojo.py

@@ -69,6 +69,12 @@ class PseudoDojoFamily(RecommendedCutoffMixin, PseudoPotentialFamily):
         PseudoDojoConfiguration('0.4', 'PBE', 'FR', 'stringent', 'psml'),
         PseudoDojoConfiguration('0.4', 'PBEsol', 'FR', 'standard', 'psml'),
         PseudoDojoConfiguration('0.4', 'PBEsol', 'FR', 'stringent', 'psml'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'standard', 'psp8'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'stringent', 'psp8'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'standard', 'upf'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'stringent', 'upf'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'standard', 'psml'),
+        PseudoDojoConfiguration('0.5', 'PBE', 'SR', 'stringent', 'psml'),
         PseudoDojoConfiguration('1.0', 'PBE', 'SR', 'standard', 'jthxml'),
         PseudoDojoConfiguration('1.0', 'PBE', 'SR', 'stringent', 'jthxml'),
         PseudoDojoConfiguration('1.0', 'LDA', 'SR', 'standard', 'jthxml'),
@@ -111,6 +117,12 @@ class PseudoDojoFamily(RecommendedCutoffMixin, PseudoPotentialFamily):
         'PseudoDojo/0.4/PBE/FR/stringent/psml': 'nc-fr-04_pbe_stringent_psml',
         'PseudoDojo/0.4/PBEsol/FR/standard/psml': 'nc-fr-04_pbesol_standard_psml',
         'PseudoDojo/0.4/PBEsol/FR/stringent/psml': 'nc-fr-04_pbesol_stringent_psml',
+        'PseudoDojo/0.5/PBE/SR/standard/psp8': 'nc-sr-05_pbe_standard_psp8',
+        'PseudoDojo/0.5/PBE/SR/stringent/psp8': 'nc-sr-05_pbe_stringent_psp8',
+        'PseudoDojo/0.5/PBE/SR/standard/upf': 'nc-sr-05_pbe_standard_upf',
+        'PseudoDojo/0.5/PBE/SR/stringent/upf': 'nc-sr-05_pbe_stringent_upf',
+        'PseudoDojo/0.5/PBE/SR/standard/psml': 'nc-sr-05_pbe_standard_psml',
+        'PseudoDojo/0.5/PBE/SR/stringent/psml': 'nc-sr-05_pbe_stringent_psml',
         'PseudoDojo/1.0/PBE/SR/standard/jthxml': 'paw_pbe_standard_xml',
         'PseudoDojo/1.0/PBE/SR/stringent/jthxml': 'paw_pbe_stringent_xml',
         'PseudoDojo/1.0/LDA/SR/standard/jthxml': 'paw_pw_standard_xml',
@@ -190,7 +202,7 @@ def get_md5_from_djrepo(cls, djrepo, pseudo_type):
         try:
             md5 = djrepo[md5_key]
         except KeyError as exception:
-            raise ParsingError(f'key `{cls.md5_key}` is not defined in the djrepo: {exception}') from exception
+            raise ParsingError(f'key `{md5_key}` is not defined in the djrepo: {exception}') from exception
 
         return md5
 
@@ -222,9 +234,9 @@ def get_cutoffs_from_djrepo(cls, djrepo, pseudo_type):
         cutoffs = {}
 
         try:
-            hints = djrepo['hints']
+            hints = djrepo.get('hints', None) or djrepo['ppgen_hints']
         except KeyError as exception:
-            raise ParsingError('key `hints` is not defined in the djrepo.') from exception
+            raise ParsingError('neither `hints` or `ppgen_hints` are defined in the djrepo.') from exception
 
         for stringency in ['low', 'normal', 'high']: