Update optimade[mongo] requirement from ~=0.17.2 to ~=0.18.0 (#357)

* Update optimade[mongo] requirement from ~=0.17.2 to ~=0.18.0 Updates the requirements on [optimade[mongo]](https://github.com/Materials-Consortia/optimade-python-tools) to permit the latest version. - [Release notes](https://github.com/Materials-Consortia/optimade-python-tools/releases) - [Changelog](https://github.com/Materials-Consortia/optimade-python-tools/blob/master/CHANGELOG.md) - [Commits](Materials-Consortia/optimade-python-tools@v0.17.2...v0.18.0) --- updated-dependencies: - dependency-name: optimade[mongo] dependency-type: direct:production ... Signed-off-by: dependabot[bot] <support@github.com> * Update AiiDA/OPTIMADE * Use "default" instead of "const" * Use new `x-optimade-` prefixed extra schema keys Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: The AiiDA Team <developers@aiida.net> Co-authored-by: Casper Welzel Andersen <casper.w.andersen@sintef.no>
aiidateam · Jun 7, 2022 · e49337c · e49337c
1 parent 1859c8e
commit e49337c
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Showing 9 changed files with 19 additions and 13 deletions.
diff --git a/Dockerfile b/Dockerfile
@@ -3,7 +3,7 @@ FROM python:3.8
 WORKDIR /app
 
 # Install specific optimade and aiida-core versions
-ARG OPTIMADE_TOOLS_VERSION=0.17.2
+ARG OPTIMADE_TOOLS_VERSION=0.18.0
 ARG AIIDA_VERSION=1.6.8
 
 # Copy repo contents

diff --git a/README.md b/README.md
@@ -2,7 +2,7 @@
 
 | Latest release | Build status | Activity |
 |:--------------:|:------------:|:--------:|
-| [![AiiDA](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/aiidateam/aiida-optimade/develop/.ci/aiida-version.json)](https://github.com/aiidateam/aiida-core/)<br>[![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/v0.17.2/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) |
+| [![AiiDA](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/aiidateam/aiida-optimade/develop/.ci/aiida-version.json)](https://github.com/aiidateam/aiida-core/)<br>[![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/v0.18.0/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).
 

diff --git a/aiida_optimade/routers/info.py b/aiida_optimade/routers/info.py
@@ -38,8 +38,8 @@ def get_info(request: Request):
     return InfoResponse(
         meta=meta_values(str(request.url), 1, 1, more_data_available=False),
         data=BaseInfoResource(
-            id=BaseInfoResource.schema()["properties"]["id"]["const"],
-            type=BaseInfoResource.schema()["properties"]["type"]["const"],
+            id=BaseInfoResource.schema()["properties"]["id"]["default"],
+            type=BaseInfoResource.schema()["properties"]["type"]["default"],
             attributes=BaseInfoAttributes(
                 api_version=__api_version__,
                 available_api_versions=[

diff --git a/aiida_optimade/utils.py b/aiida_optimade/utils.py
@@ -34,15 +34,21 @@ def retrieve_queryable_properties(
             else:
                 all_properties[name] = value
                 properties[name] = {"description": value.get("description", "")}
-                for extra_key in ["unit"]:
-                    if extra_key in value:
-                        properties[name][extra_key] = value[extra_key]
+                for extra_key in (
+                    "x-optimade-unit",
+                    "x-optimade-queryable",
+                    "x-optimade-support",
+                ):
+                    if value.get(extra_key) is not None:
+                        properties[name][extra_key.replace("x-optimade-", "")] = value[
+                            extra_key
+                        ]
                 # AiiDA's QueryBuilder can sort everything that isn't a list (array)
                 # or dict (object)
                 properties[name]["sortable"] = value.get("type", "") not in [
                     "array",
                     "object",
-                ]
+                ] and value.get("x-optimade-sortable", True)
                 # Try to get OpenAPI-specific "format" if possible,
                 # else get "type"; a mandatory OpenAPI key.
                 properties[name]["type"] = DataType.from_json_type(

diff --git a/profiles/docker-compose-mongo.j2 b/profiles/docker-compose-mongo.j2
@@ -10,7 +10,7 @@ services:
       context: ..
       dockerfile: Dockerfile
       args:
-        OPTIMADE_TOOLS_VERSION: 0.17.2
+        OPTIMADE_TOOLS_VERSION: 0.18.0
         AIIDA_VERSION: 1.6.8
         CONFIG_FILE: aiida_optimade/config.json
     environment:

diff --git a/profiles/docker-compose-mongo.yml b/profiles/docker-compose-mongo.yml
@@ -10,7 +10,7 @@ services:
       context: ..
       dockerfile: Dockerfile
       args:
-        OPTIMADE_TOOLS_VERSION: 0.17.2
+        OPTIMADE_TOOLS_VERSION: 0.18.0
         AIIDA_VERSION: 1.6.8
         CONFIG_FILE: aiida_optimade/config.json
     environment:

diff --git a/profiles/docker-compose.j2 b/profiles/docker-compose.j2
@@ -8,7 +8,7 @@ services:
       context: ..
       dockerfile: Dockerfile
       args:
-        OPTIMADE_TOOLS_VERSION: 0.17.2
+        OPTIMADE_TOOLS_VERSION: 0.18.0
         AIIDA_VERSION: 1.6.8
         CONFIG_FILE: aiida_optimade/config.json
     environment:

diff --git a/profiles/docker-compose.yml b/profiles/docker-compose.yml
@@ -8,7 +8,7 @@ services:
       context: ..
       dockerfile: Dockerfile
       args:
-        OPTIMADE_TOOLS_VERSION: 0.17.2
+        OPTIMADE_TOOLS_VERSION: 0.18.0
         AIIDA_VERSION: 1.6.8
         CONFIG_FILE: aiida_optimade/config.json
     environment:

diff --git a/requirements.txt b/requirements.txt
@@ -1,5 +1,5 @@
 aiida-core~=1.6.8
-optimade[mongo]~=0.17.2
+optimade[mongo]~=0.18.0
 pymatgen~=2021.3
 uvicorn~=0.17.6