Fix install requires (#55)

.github/system_tests/profile.yml

@@ -4,7 +4,7 @@ email: aiida@localhost
 first_name: Giuseppe
 last_name: Verdi
 institution: Khedivial
-db_backend: psql_dos
+db_backend: core.psql_dos
 db_engine: postgresql_psycopg2
 db_host: localhost
 db_port: 5432
@@ -18,4 +18,4 @@ broker_host: 127.0.0.1
 broker_port: 5672
 broker_virtual_host: ''
 repository: /tmp/test_repository_test_aiida/
-test_profile: true
+test_profile: true

.pre-commit-config.yaml

@@ -1,16 +1,16 @@
 repos:
 
 - repo: https://github.com/psf/black
-  rev: 22.3.0
+  rev: 23.3.0
   hooks:
   - id: black
 - repo: https://github.com/pycqa/isort
-  rev: 5.10.1
+  rev: 5.12.0
   hooks:
   - id: isort
 
 - repo: https://github.com/PyCQA/pylint
-  rev: v2.14.4
+  rev: v2.17.1
   hooks:
   - id: pylint
     language: system

.pylintrc

@@ -50,7 +50,7 @@ confidence=
 # --enable=similarities". If you want to run only the classes checker, but have
 # no Warning level messages displayed, use"--disable=all --enable=classes
 # --disable=W"
-disable=too-few-public-methods,too-many-public-methods,bad-continuation,wrong-import-position,line-too-long,wildcard-import,too-many-instance-attributes,fixme,len-as-condition,useless-object-inheritance,wrong-import-order,duplicate-code
+disable=too-few-public-methods,too-many-public-methods,wrong-import-position,line-too-long,wildcard-import,too-many-instance-attributes,fixme,len-as-condition,useless-object-inheritance,wrong-import-order,duplicate-code,use-dict-literal
 
 # Enable the message, report, category or checker with the given id(s). You can
 # either give multiple identifier separated by comma (,) or put this option
@@ -386,4 +386,4 @@ valid-metaclass-classmethod-first-arg=mcs
 
 # Exceptions that will emit a warning when being caught. Defaults to
 # "Exception"
-overgeneral-exceptions=Exception
+overgeneral-exceptions=builtins.Exception

aiida_optimize/_optimization_workchain.py

@@ -128,7 +128,7 @@ def launch_evaluations(self):
                 self.indices_to_retrieve.append(idx)
         return self.to_context(**evals)
 
-    def get_results(self):
+    def get_results(self):  # pylint: disable=inconsistent-return-statements
         """
         Retrieve results of the current iteration step's evaluations.
         """

aiida_optimize/process_inputs.py

@@ -53,5 +53,5 @@ def load_object(cls_name):
         return ObjectLoader().load_object(cls_name_str)
     except ValueError as err:
         if cls_name_str.startswith(_YAML_IDENTIFIER):
-            return yaml.load(cls_name_str[len(_YAML_IDENTIFIER) :])
+            return yaml.load(cls_name_str[len(_YAML_IDENTIFIER) :], Loader=yaml.UnsafeLoader)
         raise ValueError(f"Could not load class name '{cls_name_str}'.") from err

setup.json

@@ -25,7 +25,7 @@
   ],
   "include_package_data": true,
   "install_requires": [
-    "aiida-core>=2.0.0<3.0.0",
+    "aiida-core>=2.0.0,<3.0.0",
     "numpy",
     "scipy",
     "decorator",
@@ -46,7 +46,7 @@
     "dev": [
       "yapf==0.32.0",
       "pre-commit==2.19",
-      "pylint==2.14.4",
+      "pylint==2.17.1",
       "mypy==0.961",
       "types-PyYAML==6.0.9",
       "types-decorator==5.1.7"

tests/conftest.py

@@ -37,7 +37,6 @@ def run_optimization():  # pylint: disable=unused-argument
     def inner(
         engine, func_workchain, engine_kwargs, evaluate=None
     ):  # pylint: disable=missing-docstring,useless-suppression
-
         inputs = dict(
             engine=engine,
             engine_kwargs=orm.Dict(dict=dict(engine_kwargs)),
@@ -72,7 +71,6 @@ def inner(  # pylint: disable=too-many-arguments,missing-docstring,useless-suppr
         input_getter=operator.attrgetter("x"),
         output_port_names=None,
     ):
-
         func_workchain = getattr(sample_processes, func_workchain_name)
 
         result_node = run_optimization(
@@ -132,7 +130,6 @@ def inner(  # pylint: disable=too-many-arguments,missing-docstring,useless-suppr
         evaluate=None,
         output_port_names=None,
     ):
-
         func_workchain = getattr(sample_processes, func_workchain_name)
 
         result_node = run_optimization(