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Update optimade[mongo] requirement from ~=0.18.0 to ~=0.19.2 (#375) (#383)
* 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] <[email protected]> * 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] <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> 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](Kludex/uvicorn@0.18.2...0.18.3) --- updated-dependencies: - dependency-name: uvicorn dependency-type: direct:production ... Signed-off-by: dependabot[bot] <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> * Fix tests and drop py3.7 Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: The AiiDA Team <[email protected]> Co-authored-by: Jusong Yu <[email protected]> Signed-off-by: dependabot[bot] <[email protected]> Co-authored-by: dependabot[bot] <49699333+dependabot[bot]@users.noreply.github.com> Co-authored-by: The AiiDA Team <[email protected]>
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‎Dockerfile‎

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WORKDIR /app
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# Install specific optimade and aiida-core versions
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ARG OPTIMADE_TOOLS_VERSION=0.18.0
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ARG OPTIMADE_TOOLS_VERSION=0.19.2
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ARG AIIDA_VERSION=2.0.3
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# Copy repo contents

‎README.md‎

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| Latest release | Build status | Activity |
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|:--------------:|:------------:|:--------:|
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| [![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) |
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| [![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) |
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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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‎aiida_optimade/routers/info.py‎

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EntryInfoResponse,
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)
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from optimade.server.routers.utils import meta_values
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from optimade.server.config import CONFIG
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from aiida_optimade.models import StructureResource
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from aiida_optimade.utils import retrieve_queryable_properties
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base_url = get_base_url(parse_result)
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return InfoResponse(
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meta=meta_values(str(request.url), 1, 1, more_data_available=False),
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meta=meta_values(
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str(request.url), 1, 1, more_data_available=False, schema=CONFIG.schema_url
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),
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data=BaseInfoResource(
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id=BaseInfoResource.schema()["properties"]["id"]["default"],
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type=BaseInfoResource.schema()["properties"]["type"]["default"],
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output_fields_by_format = {"json": list(properties.keys())}
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return EntryInfoResponse(
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meta=meta_values(str(request.url), 1, 1, more_data_available=False),
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meta=meta_values(
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str(request.url), 1, 1, more_data_available=False, schema=CONFIG.schema_url
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),
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data=EntryInfoResource(
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formats=list(output_fields_by_format.keys()),
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description=schema.get(

‎aiida_optimade/routers/utils.py‎

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data_returned=data_returned,
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data_available=len(collection),
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more_data_available=more_data_available,
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schema=CONFIG.schema_url,
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),
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)
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data_returned=data_returned,
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data_available=len(collection),
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more_data_available=more_data_available,
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schema=CONFIG.schema_url,
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),
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)
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‎profiles/docker-compose-mongo.j2‎

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context: ..
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dockerfile: Dockerfile
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args:
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OPTIMADE_TOOLS_VERSION: 0.18.0
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OPTIMADE_TOOLS_VERSION: 0.19.2
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AIIDA_VERSION: 2.0.3
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CONFIG_FILE: aiida_optimade/config.json
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environment:

‎profiles/docker-compose-mongo.yml‎

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context: ..
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dockerfile: Dockerfile
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args:
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OPTIMADE_TOOLS_VERSION: 0.18.0
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OPTIMADE_TOOLS_VERSION: 0.19.2
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AIIDA_VERSION: 2.0.3
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CONFIG_FILE: aiida_optimade/config.json
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environment:

‎profiles/docker-compose.j2‎

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context: ..
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dockerfile: Dockerfile
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args:
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OPTIMADE_TOOLS_VERSION: 0.18.0
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OPTIMADE_TOOLS_VERSION: 0.19.2
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AIIDA_VERSION: 2.0.3
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CONFIG_FILE: aiida_optimade/config.json
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environment:

‎profiles/docker-compose.yml‎

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dockerfile: Dockerfile
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args:
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OPTIMADE_TOOLS_VERSION: 0.18.0
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OPTIMADE_TOOLS_VERSION: 0.19.2
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AIIDA_VERSION: 2.0.3
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CONFIG_FILE: aiida_optimade/config.json
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environment:

‎requirements.txt‎

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optimade[mongo]~=0.19.2
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aiida-core~=2.0.3
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optimade[mongo]~=0.18.0
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pymatgen>=2019.7.2,<=2022.1.9,!=2019.9.7
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uvicorn~=0.18.3
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