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