diff --git a/Dockerfile b/Dockerfile index 2f15f16c..85dba8dc 100644 --- a/Dockerfile +++ b/Dockerfile @@ -3,7 +3,7 @@ FROM python:3.9 WORKDIR /app # Install specific optimade and aiida-core versions -ARG OPTIMADE_TOOLS_VERSION=0.18.0 +ARG OPTIMADE_TOOLS_VERSION=0.19.2 ARG AIIDA_VERSION=2.0.3 # Copy repo contents diff --git a/README.md b/README.md index eba8d899..087e609f 100644 --- a/README.md +++ b/README.md @@ -9,7 +9,7 @@ The compatibility matrix below assumes the user always install the latest patch | 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/)
[![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/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/)
[![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/)
[![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/Materials-Consortia/optimade-python-tools/v0.19.2/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/)
[![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 index 498400de..62a8f874 100644 --- a/aiida_optimade/routers/info.py +++ b/aiida_optimade/routers/info.py @@ -11,6 +11,7 @@ EntryInfoResponse, ) from optimade.server.routers.utils import meta_values +from optimade.server.config import CONFIG from aiida_optimade.models import StructureResource from aiida_optimade.utils import retrieve_queryable_properties @@ -36,7 +37,9 @@ def get_info(request: Request): base_url = get_base_url(parse_result) return InfoResponse( - meta=meta_values(str(request.url), 1, 1, more_data_available=False), + meta=meta_values( + str(request.url), 1, 1, more_data_available=False, schema=CONFIG.schema_url + ), data=BaseInfoResource( id=BaseInfoResource.schema()["properties"]["id"]["default"], type=BaseInfoResource.schema()["properties"]["type"]["default"], @@ -89,7 +92,9 @@ def get_info_entry(request: Request, entry: str): output_fields_by_format = {"json": list(properties.keys())} return EntryInfoResponse( - meta=meta_values(str(request.url), 1, 1, more_data_available=False), + meta=meta_values( + str(request.url), 1, 1, more_data_available=False, schema=CONFIG.schema_url + ), data=EntryInfoResource( formats=list(output_fields_by_format.keys()), description=schema.get( diff --git a/aiida_optimade/routers/utils.py b/aiida_optimade/routers/utils.py index 98645ecb..90f0015c 100644 --- a/aiida_optimade/routers/utils.py +++ b/aiida_optimade/routers/utils.py @@ -95,6 +95,7 @@ def get_entries( data_returned=data_returned, data_available=len(collection), more_data_available=more_data_available, + schema=CONFIG.schema_url, ), ) @@ -136,6 +137,7 @@ def get_single_entry( data_returned=data_returned, data_available=len(collection), more_data_available=more_data_available, + schema=CONFIG.schema_url, ), ) diff --git a/profiles/docker-compose-mongo.j2 b/profiles/docker-compose-mongo.j2 index fb094a4c..d4b31be7 100644 --- a/profiles/docker-compose-mongo.j2 +++ b/profiles/docker-compose-mongo.j2 @@ -10,7 +10,7 @@ services: context: .. dockerfile: Dockerfile args: - OPTIMADE_TOOLS_VERSION: 0.18.0 + OPTIMADE_TOOLS_VERSION: 0.19.2 AIIDA_VERSION: 2.0.3 CONFIG_FILE: aiida_optimade/config.json environment: diff --git a/profiles/docker-compose-mongo.yml b/profiles/docker-compose-mongo.yml index bc0e3846..cbd30767 100644 --- a/profiles/docker-compose-mongo.yml +++ b/profiles/docker-compose-mongo.yml @@ -10,7 +10,7 @@ services: context: .. dockerfile: Dockerfile args: - OPTIMADE_TOOLS_VERSION: 0.18.0 + OPTIMADE_TOOLS_VERSION: 0.19.2 AIIDA_VERSION: 2.0.3 CONFIG_FILE: aiida_optimade/config.json environment: diff --git a/profiles/docker-compose.j2 b/profiles/docker-compose.j2 index d37f5097..85a24529 100644 --- a/profiles/docker-compose.j2 +++ b/profiles/docker-compose.j2 @@ -8,7 +8,7 @@ services: context: .. dockerfile: Dockerfile args: - OPTIMADE_TOOLS_VERSION: 0.18.0 + OPTIMADE_TOOLS_VERSION: 0.19.2 AIIDA_VERSION: 2.0.3 CONFIG_FILE: aiida_optimade/config.json environment: diff --git a/profiles/docker-compose.yml b/profiles/docker-compose.yml index 0680b2f0..51d8306d 100644 --- a/profiles/docker-compose.yml +++ b/profiles/docker-compose.yml @@ -8,7 +8,7 @@ services: context: .. dockerfile: Dockerfile args: - OPTIMADE_TOOLS_VERSION: 0.18.0 + OPTIMADE_TOOLS_VERSION: 0.19.2 AIIDA_VERSION: 2.0.3 CONFIG_FILE: aiida_optimade/config.json environment: diff --git a/requirements.txt b/requirements.txt index b67ca89c..b4011a56 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,5 +1,5 @@ +optimade[mongo]~=0.19.2 aiida-core~=2.0.3 -optimade[mongo]~=0.18.0 pymatgen>=2019.7.2,<=2022.1.9,!=2019.9.7 uvicorn~=0.18.3