Use optimade.__api_version__ instead of CONFIG

.pre-commit-config.yaml

@@ -24,14 +24,3 @@ repos:
         .codecov.yml
       )$
     language: system
-
-  - id: optimade-version
-    name: Update OPTiMaDe shield
-    description: If needed, the json for the OPTiMaDe shield will be updated with new config version
-    entry: python ./.ci/optimade_version_update.py
-    files: >
-      (?x)^(
-        .ci/optimade-version.json|
-        aiida_optimade/config.json
-      )$
-    language: system

README.md

@@ -2,7 +2,7 @@
 
 | Latest release | Build status | Activity |
 |:--------------:|:------------:|:--------:|
-| [![PyPI](https://img.shields.io/pypi/v/aiida-optimade)](https://pypi.org/project/aiida-optimade/) [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/aiida-optimade)](https://pypi.org/project/aiida-optimade/) [![OPTiMaDe](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/aiidateam/aiida-optimade/master/.ci/optimade-version.json)](https://github.com/Materials-Consortia/OPTiMaDe/) | [![GitHub Workflow Status](https://img.shields.io/github/workflow/status/aiidateam/aiida-optimade/aiida-optimade)](https://github.com/aiidateam/aiida-optimade/actions/) [![Codecov](https://img.shields.io/codecov/c/gh/aiidateam/aiida-optimade)](https://codecov.io/gh/aiidateam/aiida-optimade) | [![GitHub last commit](https://img.shields.io/github/last-commit/aiidateam/aiida-optimade)](https://github.com/aiidateam/aiida-optimade) |
+| [![PyPI](https://img.shields.io/pypi/v/aiida-optimade)](https://pypi.org/project/aiida-optimade/)<br>[![PyPI - Python Version](https://img.shields.io/pypi/pyversions/aiida-optimade)](https://pypi.org/project/aiida-optimade/)<br>[![OPTiMaDe](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/v0.3.0/.ci/optimade-version.json)](https://github.com/Materials-Consortia/OPTiMaDe/) | [![GitHub Workflow Status](https://img.shields.io/github/workflow/status/aiidateam/aiida-optimade/aiida-optimade)](https://github.com/aiidateam/aiida-optimade/actions/)<br>[![Codecov](https://img.shields.io/codecov/c/gh/aiidateam/aiida-optimade)](https://codecov.io/gh/aiidateam/aiida-optimade) | [![GitHub last commit](https://img.shields.io/github/last-commit/aiidateam/aiida-optimade)](https://github.com/aiidateam/aiida-optimade) |
 
 This is a RESTful API server created with [FastAPI](https://fastapi.tiangolo.com/) that exposes an AiiDA database according to the [OPTiMaDe specification](https://github.com/Materials-Consortia/OPTiMaDe/blob/develop/optimade.rst).
 
@@ -35,10 +35,10 @@ pip install -e aiida-optimade/
 ```shell
 # specify AiiDA profile (will use default otherwise)
 export AIIDA_PROFILE=optimade
-sh run.sh
+./aiida-optimade/run.sh
 ```
 
-Navigate to `http://127.0.0.1:5000/optimade/info`
+Navigate to `http://localhost:5000/optimade/info`
 
 ## Running via docker
 
@@ -48,7 +48,7 @@ Adapt `profiles/quicksetup.json` and `profiles/docker-compose.yml` appropriately
 docker-compose -f profiles/docker-compose.yml up --build
 ```
 
-Navigate to `http://127.0.0.1:3253/optimade/info`
+Navigate to `http://localhost:3253/optimade/info`
 
 Stop by using
 

aiida_optimade/config.json

@@ -1,6 +1,5 @@
 {
-  "api_version": "0.10.0",
-  "page_limit": 100,
+  "page_limit": 15,
   "db_page_limit": 500,
   "index_base_url": null,
   "provider": {

aiida_optimade/config.py

@@ -14,8 +14,7 @@ class ServerConfig(Config):
     @staticmethod
     def _DEFAULTS(field: str) -> Any:  # pylint: disable=invalid-name
         res = {
-            "api_version": "1.0.0",
-            "page_limit": 100,
+            "page_limit": 15,
             "db_page_limit": 500,
             "provider": {
                 "prefix": "_aiida_",
@@ -52,7 +51,6 @@ def load_from_json(self):
         with open(self._path) as config_file:
             config = json.load(config_file)
 
-        self.version = config.get("api_version", self._DEFAULTS("api_version"))
         self.page_limit = int(config.get("page_limit", self._DEFAULTS("page_limit")))
         self.db_page_limit = int(
             config.get("db_page_limit", self._DEFAULTS("db_page_limit"))

aiida_optimade/main.py

@@ -9,8 +9,9 @@
 
 from aiida import load_profile
 
+from optimade import __api_version__
+
 from aiida_optimade.common.exceptions import AiidaError
-from aiida_optimade.config import CONFIG
 import aiida_optimade.exceptions as exc_handlers
 
 
@@ -22,7 +23,7 @@
         "[Automated Interactive Infrastructure and Database for Computational Science (AiiDA)](http://www.aiida.net) "
         "aims to help researchers with managing complex workflows and making them fully reproducible."
     ),
-    version=CONFIG.version,
+    version=__api_version__,
     docs_url="/optimade/extensions/docs",
     redoc_url="/optimade/extensions/redoc",
     openapi_url="/optimade/extensions/openapi.json",
@@ -81,7 +82,7 @@ async def backend_middleware(request: Request, call_next):
 #   /optimade/vMajor.Minor
 #   /optimade/vMajor.Minor.Patch
 VALID_PREFIXES = ["/optimade"]
-VERSION = [int(_) for _ in CONFIG.version.split(".")]
+VERSION = [int(_) for _ in __api_version__.split(".")]
 while VERSION:
     if VERSION[0] or len(VERSION) >= 2:
         VALID_PREFIXES.append(

aiida_optimade/routers/info.py

@@ -6,6 +6,8 @@
 from starlette.exceptions import HTTPException as StarletteHTTPException
 from starlette.requests import Request
 
+from optimade import __api_version__
+
 from optimade.models import (
     ErrorResponse,
     InfoResponse,
@@ -36,11 +38,11 @@ def get_info(request: Request):
         meta=u.meta_values(str(request.url), 1, 1, more_data_available=False),
         data=BaseInfoResource(
             attributes=BaseInfoAttributes(
-                api_version=f"v{CONFIG.version}",
+                api_version=f"v{__api_version__}",
                 available_api_versions=[
                     {
                         "url": f"{parse_result.scheme}://{parse_result.netloc}",
-                        "version": CONFIG.version,
+                        "version": __api_version__,
                     }
                 ],
                 entry_types_by_format={"json": list(ENTRY_INFO_SCHEMAS.keys())},

aiida_optimade/routers/utils.py

@@ -37,7 +37,6 @@ def handle_pagination(
     elif query["page_offset"] == 0 or abs(query["page_offset"]) < int(
         query.get("page_limit", [CONFIG.page_limit])[0]
     ):
-        print("here now")
         prev_query = query.copy()
         prev_query.pop("page_offset")
         urlencoded_prev = urllib.parse.urlencode(prev_query, doseq=True)

aiida_optimade/tests/test_server.py

@@ -12,10 +12,6 @@
 from aiida_optimade.config import CONFIG
 from optimade.validator import ImplementationValidator
 
-# this must be changed before APP is imported
-# some tests currently depend on this value remaining at 5
-CONFIG.page_limit = 5  # noqa: E402
-
 # Use specific AiiDA profile
 if os.getenv("AIIDA_PROFILE", None) is None:
     os.environ["AIIDA_PROFILE"] = "optimade_v1_aiida_sqla"
@@ -151,20 +147,28 @@ def test_structures_endpoint_data(self):
         assert self.json_response["meta"]["more_data_available"]
 
     def test_get_next_responses(self):
-        cursor = self.json_response["data"].copy()
+        total_data = self.json_response["meta"]["data_available"]
+        page_limit = 5
+
+        response = self.client.get(self.request_str + f"?page_limit={page_limit}")
+        json_response = response.json()
+        assert response.status_code == 200, f"Request failed: {response.json()}"
+
+        cursor = json_response["data"].copy()
+        assert json_response["meta"]["more_data_available"]
         more_data_available = True
-        next_request = self.json_response["links"]["next"]
+        next_request = json_response["links"]["next"]
 
         id_ = len(cursor)
-        while more_data_available and id_ < CONFIG.page_limit * 3:
+        while more_data_available and id_ < page_limit * 3:
             next_response = self.client.get(next_request).json()
             next_request = next_response["links"]["next"]
             cursor.extend(next_response["data"])
             more_data_available = next_response["meta"]["more_data_available"]
             if more_data_available:
-                assert len(next_response["data"]) == CONFIG.page_limit
+                assert len(next_response["data"]) == page_limit
             else:
-                assert len(next_response["data"]) == 1089 % CONFIG.page_limit
+                assert len(next_response["data"]) == total_data % page_limit
             id_ += len(next_response["data"])
 
         assert len(cursor) == id_

aiida_optimade/utils.py

@@ -7,6 +7,8 @@
 from starlette.requests import Request
 from starlette.responses import JSONResponse
 
+from optimade import __api_version__
+
 from optimade.models import (
     ResponseMeta,
     ResponseMetaQuery,
@@ -30,7 +32,7 @@ def meta_values(
         query=ResponseMetaQuery(
             representation=f"{parse_result.path}?{parse_result.query}"
         ),
-        api_version=f"v{CONFIG.version}",
+        api_version=f"v{__api_version__}",
         time_stamp=datetime.utcnow(),
         data_returned=data_returned,
         more_data_available=more_data_available,

setup.py

@@ -19,7 +19,7 @@
         "aiida-core~=1.0.1",
         "fastapi~=0.44",
         "lark-parser~=0.7.8",
-        "optimade~=0.2",
+        "optimade~=0.3.0",
         "pydantic~=1.0, <2.0.0",
         "uvicorn",
     ],

tasks.py

@@ -53,31 +53,33 @@ def setver(_, patch=False, new_ver=""):
 
 
 @task
-def set_optimade_ver(_, ver=""):
-    """Update the OPTiMaDe version throughout the package"""
+def optimade_req(_, ver=""):
+    """Update the optimade-python-tools minimum version requirement"""
 
     if not ver:
         raise Exception("Please specify --ver='Major.Minor.Patch'")
-    with open("aiida_optimade/config.json", "r") as handle:
+
+    with open("setup.py", "r") as handle:
         lines = [
-            re.sub(
-                '"api_version": ([^,]+),',
-                '"api_version": "{}",'.format(ver),
-                l.rstrip(),
-            )
-            for l in handle
+            re.sub("optimade~=([^,]+)", f'optimade~={ver}"', l.rstrip()) for l in handle
         ]
-    with open("aiida_optimade/config.json", "w") as handle:
+    with open("setup.py", "w") as handle:
         handle.write("\n".join(lines))
         handle.write("\n")
 
-    with open(".ci/optimade-version.json", "r") as handle:
+    with open("README.md", "r") as handle:
         lines = [
-            re.sub('"message": .+', '"message": "v{}",'.format(ver), l.rstrip())
+            re.sub(
+                "https://raw.githubusercontent.com/Materials-Consortia/"
+                "optimade-python-tools/v([^,]+)/.ci/",
+                "https://raw.githubusercontent.com/Materials-Consortia/"
+                f"optimade-python-tools/v{ver}/.ci/",
+                l.rstrip("\n"),
+            )
             for l in handle
         ]
-    with open(".ci/optimade-version.json", "w") as handle:
+    with open("README.md", "w") as handle:
         handle.write("\n".join(lines))
         handle.write("\n")
 
-    print("Bumped OPTiMaDe version to {}".format(ver))
+    print("Bumped OPTiMaDe Python Tools version requirement to {}".format(ver))