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Update optimade[mongo] requirement from ~=0.18.0 to ~=0.19.2 (#375)
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* Update optimade[mongo] requirement from ~=0.18.0 to ~=0.19.1

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@v0.18.0...v0.19.1)

---
updated-dependencies:
- dependency-name: optimade[mongo]
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <support@github.com>

* Update AiiDA/OPTIMADE

* Update pylint requirement from ~=2.14 to ~=2.15 (#376)

Updates the requirements on [pylint](https://github.com/PyCQA/pylint) to permit the latest version.
- [Release notes](https://github.com/PyCQA/pylint/releases)
- [Commits](pylint-dev/pylint@v2.14.0...v2.15.0)

---
updated-dependencies:
- dependency-name: pylint
  dependency-type: direct:development
...

Signed-off-by: dependabot[bot] <support@github.com>

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Update uvicorn requirement from ~=0.18.2 to ~=0.18.3 (#377)

Updates the requirements on [uvicorn](https://github.com/encode/uvicorn) to permit the latest version.
- [Release notes](https://github.com/encode/uvicorn/releases)
- [Changelog](https://github.com/encode/uvicorn/blob/master/CHANGELOG.md)
- [Commits](encode/uvicorn@0.18.2...0.18.3)

---
updated-dependencies:
- dependency-name: uvicorn
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <support@github.com>

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>

* Fix tests and drop py3.7

Signed-off-by: dependabot[bot] <support@github.com>
Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com>
Co-authored-by: The AiiDA Team <developers@aiida.net>
Co-authored-by: Jusong Yu <jusong.yeu@gmail.com>
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3 people committed Sep 22, 2022
1 parent 9db9780 commit c7ccea6
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Showing 9 changed files with 16 additions and 9 deletions.
2 changes: 1 addition & 1 deletion Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -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
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2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -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/)<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) |
| [![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/v0.19.2/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/)<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).

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9 changes: 7 additions & 2 deletions aiida_optimade/routers/info.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand All @@ -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"],
Expand Down Expand Up @@ -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(
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2 changes: 2 additions & 0 deletions aiida_optimade/routers/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -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,
),
)

Expand Down Expand Up @@ -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,
),
)

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2 changes: 1 addition & 1 deletion profiles/docker-compose-mongo.j2
Original file line number Diff line number Diff line change
Expand Up @@ -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:
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2 changes: 1 addition & 1 deletion profiles/docker-compose-mongo.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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:
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2 changes: 1 addition & 1 deletion profiles/docker-compose.j2
Original file line number Diff line number Diff line change
Expand Up @@ -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:
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2 changes: 1 addition & 1 deletion profiles/docker-compose.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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:
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2 changes: 1 addition & 1 deletion requirements.txt
Original file line number Diff line number Diff line change
@@ -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

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