%global _empty_manifest_terminate_build 0 Name: python-optimade Version: 0.23.1 Release: 1 Summary: Tools for implementing and consuming OPTIMADE APIs. License: MIT URL: https://github.com/Materials-Consortia/optimade-python-tools Source0: https://mirrors.nju.edu.cn/pypi/web/packages/98/c8/db85b81b87f1b9122bcb1035c00732d3d6d08be5622746f4ae9f6e5c1c9a/optimade-0.23.1.tar.gz BuildArch: noarch Requires: python3-lark Requires: python3-pydantic Requires: python3-email-validator Requires: python3-requests Requires: python3-aiida-core Requires: python3-black Requires: python3-flake8 Requires: python3-isort Requires: python3-mypy Requires: python3-pylint Requires: python3-pre-commit Requires: python3-invoke Requires: python3-types-all Requires: python3-ruff Requires: python3-mike Requires: python3-mkdocs Requires: python3-mkdocs-awesome-pages-plugin Requires: python3-mkdocs-material Requires: python3-mkdocstrings[python-legacy] Requires: python3-build Requires: python3-jsondiff Requires: python3-pytest Requires: python3-pytest-cov Requires: python3-uvicorn Requires: python3-fastapi Requires: python3-pyyaml Requires: python3-pymongo Requires: python3-mongomock Requires: python3-numpy Requires: python3-httpx Requires: python3-rich Requires: python3-click Requires: python3-elasticsearch-dsl Requires: python3-elasticsearch Requires: python3-aiida-core Requires: python3-ase Requires: python3-pymatgen Requires: python3-jarvis-tools Requires: python3-ase Requires: python3-numpy Requires: python3-numpy Requires: python3-black Requires: python3-flake8 Requires: python3-isort Requires: python3-mypy Requires: python3-pylint Requires: python3-pre-commit Requires: python3-invoke Requires: python3-types-all Requires: python3-ruff Requires: python3-mike Requires: python3-mkdocs Requires: python3-mkdocs-awesome-pages-plugin Requires: python3-mkdocs-material Requires: python3-mkdocstrings[python-legacy] Requires: python3-build Requires: python3-jsondiff Requires: python3-pytest Requires: python3-pytest-cov Requires: python3-uvicorn Requires: python3-fastapi Requires: python3-pyyaml Requires: python3-pymongo Requires: python3-mongomock Requires: python3-numpy Requires: python3-httpx Requires: python3-rich Requires: python3-click Requires: python3-mike Requires: python3-mkdocs Requires: python3-mkdocs-awesome-pages-plugin Requires: python3-mkdocs-material Requires: python3-mkdocstrings[python-legacy] Requires: python3-elasticsearch-dsl Requires: python3-elasticsearch Requires: python3-httpx Requires: python3-rich Requires: python3-click Requires: python3-jarvis-tools Requires: python3-pymongo Requires: python3-mongomock Requires: python3-numpy Requires: python3-pymatgen Requires: python3-uvicorn Requires: python3-fastapi Requires: python3-pyyaml Requires: python3-pymongo Requires: python3-mongomock Requires: python3-build Requires: python3-jsondiff Requires: python3-pytest Requires: python3-pytest-cov Requires: python3-uvicorn Requires: python3-fastapi Requires: python3-pyyaml Requires: python3-pymongo Requires: python3-mongomock %description
#
OPTIMADE Python tools
JOSS DOI
Latest releaseBuild statusActivity
PyPI version
PyPI - Python Version
OPTIMADE version
Build Status
Docs
Codecov
Commit Activity
Last Commit
Contributors
The aim of [OPTIMADE](https://optimade.org) is to develop a common API, compliant with the [JSON:API 1.0](http://jsonapi.org/format/1.0/) specification. This is to enable interoperability among databases that serve crystal structures and calculated properties of existing and hypothetical materials. This repository contains a library of tools for implementing and consuming [OPTIMADE APIs](https://www.optimade.org) using Python: 1. [pydantic](https://github.com/pydantic/pydantic) data models for all [OPTIMADE entry types](https://www.optimade.org/optimade-python-tools/latest/all_models/) and endpoint responses, and a [Lark](https://github.com/lark-parser/lark) [EBNF grammar](https://en.wikipedia.org/wiki/Extended_Backus%E2%80%93Naur_form) implementation for the OPTIMADE filter language. 1. Adapters to map OPTIMADE data to and from many commonly used atomistic Python frameworks (e.g., [pymatgen](https://pymatgen.org/), [ASE](https://wiki.fysik.dtu.dk/ase/)) and crystallographic file types (e.g., [CIF](https://www.iucr.org/resources/cif)), using the `optimade.adapters` module. 1. A configurable reference server implementation that can make use of either MongoDB or Elasticsearch database backends out-of-the-box, and is readily extensible to other backends. Try it out on the [demo site](https://optimade.fly.dev)! The OpenAPI schemas of the server are used to construct the [OPTIMADE schemas](https://schemas.optimade.org/) site. 1. An [OPTIMADE client](https://www.optimade.org/optimade-python-tools/latest/getting_started/client/) (`optimade-get`) that can query multiple [OPTIMADE providers](https://optimade.org/providers-dashboard) concurrently with a given filter, at the command-line or from Python code. 1. A fuzzy API validator tool, which may be called from the shell (`optimade-validator`) or used as a GitHub Action from [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action); this validator is used to construct the [providers dashboard](https://optimade.org/providers-dashboard). ## Documentation This document, guides, and the full module API documentation can be found online at [https://optimade.org/optimade-python-tools](https://optimade.org/optimade-python-tools). In particular, documentation of the OPTIMADE API response data models (implemented here with [pydantic](https://github.com/pydantic/pydantic)) can be found online under [OPTIMADE Data Models](https://optimade.org/optimade-python-tools/latest/all_models). The release history and changelog can be found in [the changelog](CHANGELOG.md). ## Installation Detailed installation instructions for different use cases (e.g., using the library or running a server) can be found in [the installation documentation](INSTALL.md). The latest stable version of this package can be obtained from [PyPI](https://pypi.org/project/optimade): ```shell pip install optimade ``` The latest development version of this package can be obtained from the master branch of this repository: ```shell git clone https://github.com/Materials-Consortia/optimade-python-tools ``` ## Supported OPTIMADE versions Each release of the `optimade` package from this repository only targets one version of the OPTIMADE specification, summarised in the table below.
OPTIMADE API version optimade version
v1.0.0 v0.12.9
v1.1.0 v0.16.0+
## Contributing and Getting Help All development of this package (bug reports, suggestions, feedback and pull requests) occurs in the [optimade-python-tools GitHub repository](https://github.com/Materials-Consortia/optimade-python-tools). Contribution guidelines and tips for getting help can be found in the [contributing notes](CONTRIBUTING.md). ## How to cite If you use this package to access or serve OPTIMADE data, we kindly request that you consider citing the following: - Andersen *et al.*, OPTIMADE, an API for exchanging materials data, *Sci. Data* **8**, 217 (2021) [10.1038/s41597-021-00974-z](https://doi.org/10.1038/s41597-021-00974-z) - Evans *et al.*, optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs. *Journal of Open Source Software*, **6**(65), 3458 (2021) [10.21105/joss.03458](https://doi.org/10.21105/joss.03458) ## Links - [OPTIMADE Specification](https://github.com/Materials-Consortia/OPTIMADE/blob/develop/optimade.rst), the human-readable specification that this library is based on. - [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action), a GitHub action that can be used to validate implementations from a URL (using the validator from this repo). - [OpenAPI](https://github.com/OAI/OpenAPI-Specification), the machine-readable format used to specify the OPTIMADE API in [`openapi.json`](openapi/openapi.json) and [`index_openapi.json`](openapi/index_openapi.json). - [Interactive documentation](https://petstore.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json) generated from [`openapi.json`](openapi/openapi.json) (see also [interactive JSON editor](https://editor.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json)). - [pydantic](https://pydantic-docs.helpmanual.io/), the library used for generating the OpenAPI schema from [Python models](https://www.optimade.org/optimade-python-tools/all_models/). - [FastAPI](https://fastapi.tiangolo.com/), the framework used for generating the reference implementation expressed by the [`openapi.json`](openapi/openapi.json) specification. - [Lark](https://github.com/lark-parser/lark), the library used to parse the filter language in OPTIMADE queries. %package -n python3-optimade Summary: Tools for implementing and consuming OPTIMADE APIs. Provides: python-optimade BuildRequires: python3-devel BuildRequires: python3-setuptools BuildRequires: python3-pip %description -n python3-optimade
#
OPTIMADE Python tools
JOSS DOI
Latest releaseBuild statusActivity
PyPI version
PyPI - Python Version
OPTIMADE version
Build Status
Docs
Codecov
Commit Activity
Last Commit
Contributors
The aim of [OPTIMADE](https://optimade.org) is to develop a common API, compliant with the [JSON:API 1.0](http://jsonapi.org/format/1.0/) specification. This is to enable interoperability among databases that serve crystal structures and calculated properties of existing and hypothetical materials. This repository contains a library of tools for implementing and consuming [OPTIMADE APIs](https://www.optimade.org) using Python: 1. [pydantic](https://github.com/pydantic/pydantic) data models for all [OPTIMADE entry types](https://www.optimade.org/optimade-python-tools/latest/all_models/) and endpoint responses, and a [Lark](https://github.com/lark-parser/lark) [EBNF grammar](https://en.wikipedia.org/wiki/Extended_Backus%E2%80%93Naur_form) implementation for the OPTIMADE filter language. 1. Adapters to map OPTIMADE data to and from many commonly used atomistic Python frameworks (e.g., [pymatgen](https://pymatgen.org/), [ASE](https://wiki.fysik.dtu.dk/ase/)) and crystallographic file types (e.g., [CIF](https://www.iucr.org/resources/cif)), using the `optimade.adapters` module. 1. A configurable reference server implementation that can make use of either MongoDB or Elasticsearch database backends out-of-the-box, and is readily extensible to other backends. Try it out on the [demo site](https://optimade.fly.dev)! The OpenAPI schemas of the server are used to construct the [OPTIMADE schemas](https://schemas.optimade.org/) site. 1. An [OPTIMADE client](https://www.optimade.org/optimade-python-tools/latest/getting_started/client/) (`optimade-get`) that can query multiple [OPTIMADE providers](https://optimade.org/providers-dashboard) concurrently with a given filter, at the command-line or from Python code. 1. A fuzzy API validator tool, which may be called from the shell (`optimade-validator`) or used as a GitHub Action from [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action); this validator is used to construct the [providers dashboard](https://optimade.org/providers-dashboard). ## Documentation This document, guides, and the full module API documentation can be found online at [https://optimade.org/optimade-python-tools](https://optimade.org/optimade-python-tools). In particular, documentation of the OPTIMADE API response data models (implemented here with [pydantic](https://github.com/pydantic/pydantic)) can be found online under [OPTIMADE Data Models](https://optimade.org/optimade-python-tools/latest/all_models). The release history and changelog can be found in [the changelog](CHANGELOG.md). ## Installation Detailed installation instructions for different use cases (e.g., using the library or running a server) can be found in [the installation documentation](INSTALL.md). The latest stable version of this package can be obtained from [PyPI](https://pypi.org/project/optimade): ```shell pip install optimade ``` The latest development version of this package can be obtained from the master branch of this repository: ```shell git clone https://github.com/Materials-Consortia/optimade-python-tools ``` ## Supported OPTIMADE versions Each release of the `optimade` package from this repository only targets one version of the OPTIMADE specification, summarised in the table below.
OPTIMADE API version optimade version
v1.0.0 v0.12.9
v1.1.0 v0.16.0+
## Contributing and Getting Help All development of this package (bug reports, suggestions, feedback and pull requests) occurs in the [optimade-python-tools GitHub repository](https://github.com/Materials-Consortia/optimade-python-tools). Contribution guidelines and tips for getting help can be found in the [contributing notes](CONTRIBUTING.md). ## How to cite If you use this package to access or serve OPTIMADE data, we kindly request that you consider citing the following: - Andersen *et al.*, OPTIMADE, an API for exchanging materials data, *Sci. Data* **8**, 217 (2021) [10.1038/s41597-021-00974-z](https://doi.org/10.1038/s41597-021-00974-z) - Evans *et al.*, optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs. *Journal of Open Source Software*, **6**(65), 3458 (2021) [10.21105/joss.03458](https://doi.org/10.21105/joss.03458) ## Links - [OPTIMADE Specification](https://github.com/Materials-Consortia/OPTIMADE/blob/develop/optimade.rst), the human-readable specification that this library is based on. - [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action), a GitHub action that can be used to validate implementations from a URL (using the validator from this repo). - [OpenAPI](https://github.com/OAI/OpenAPI-Specification), the machine-readable format used to specify the OPTIMADE API in [`openapi.json`](openapi/openapi.json) and [`index_openapi.json`](openapi/index_openapi.json). - [Interactive documentation](https://petstore.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json) generated from [`openapi.json`](openapi/openapi.json) (see also [interactive JSON editor](https://editor.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json)). - [pydantic](https://pydantic-docs.helpmanual.io/), the library used for generating the OpenAPI schema from [Python models](https://www.optimade.org/optimade-python-tools/all_models/). - [FastAPI](https://fastapi.tiangolo.com/), the framework used for generating the reference implementation expressed by the [`openapi.json`](openapi/openapi.json) specification. - [Lark](https://github.com/lark-parser/lark), the library used to parse the filter language in OPTIMADE queries. %package help Summary: Development documents and examples for optimade Provides: python3-optimade-doc %description help
#
OPTIMADE Python tools
JOSS DOI
Latest releaseBuild statusActivity
PyPI version
PyPI - Python Version
OPTIMADE version
Build Status
Docs
Codecov
Commit Activity
Last Commit
Contributors
The aim of [OPTIMADE](https://optimade.org) is to develop a common API, compliant with the [JSON:API 1.0](http://jsonapi.org/format/1.0/) specification. This is to enable interoperability among databases that serve crystal structures and calculated properties of existing and hypothetical materials. This repository contains a library of tools for implementing and consuming [OPTIMADE APIs](https://www.optimade.org) using Python: 1. [pydantic](https://github.com/pydantic/pydantic) data models for all [OPTIMADE entry types](https://www.optimade.org/optimade-python-tools/latest/all_models/) and endpoint responses, and a [Lark](https://github.com/lark-parser/lark) [EBNF grammar](https://en.wikipedia.org/wiki/Extended_Backus%E2%80%93Naur_form) implementation for the OPTIMADE filter language. 1. Adapters to map OPTIMADE data to and from many commonly used atomistic Python frameworks (e.g., [pymatgen](https://pymatgen.org/), [ASE](https://wiki.fysik.dtu.dk/ase/)) and crystallographic file types (e.g., [CIF](https://www.iucr.org/resources/cif)), using the `optimade.adapters` module. 1. A configurable reference server implementation that can make use of either MongoDB or Elasticsearch database backends out-of-the-box, and is readily extensible to other backends. Try it out on the [demo site](https://optimade.fly.dev)! The OpenAPI schemas of the server are used to construct the [OPTIMADE schemas](https://schemas.optimade.org/) site. 1. An [OPTIMADE client](https://www.optimade.org/optimade-python-tools/latest/getting_started/client/) (`optimade-get`) that can query multiple [OPTIMADE providers](https://optimade.org/providers-dashboard) concurrently with a given filter, at the command-line or from Python code. 1. A fuzzy API validator tool, which may be called from the shell (`optimade-validator`) or used as a GitHub Action from [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action); this validator is used to construct the [providers dashboard](https://optimade.org/providers-dashboard). ## Documentation This document, guides, and the full module API documentation can be found online at [https://optimade.org/optimade-python-tools](https://optimade.org/optimade-python-tools). In particular, documentation of the OPTIMADE API response data models (implemented here with [pydantic](https://github.com/pydantic/pydantic)) can be found online under [OPTIMADE Data Models](https://optimade.org/optimade-python-tools/latest/all_models). The release history and changelog can be found in [the changelog](CHANGELOG.md). ## Installation Detailed installation instructions for different use cases (e.g., using the library or running a server) can be found in [the installation documentation](INSTALL.md). The latest stable version of this package can be obtained from [PyPI](https://pypi.org/project/optimade): ```shell pip install optimade ``` The latest development version of this package can be obtained from the master branch of this repository: ```shell git clone https://github.com/Materials-Consortia/optimade-python-tools ``` ## Supported OPTIMADE versions Each release of the `optimade` package from this repository only targets one version of the OPTIMADE specification, summarised in the table below.
OPTIMADE API version optimade version
v1.0.0 v0.12.9
v1.1.0 v0.16.0+
## Contributing and Getting Help All development of this package (bug reports, suggestions, feedback and pull requests) occurs in the [optimade-python-tools GitHub repository](https://github.com/Materials-Consortia/optimade-python-tools). Contribution guidelines and tips for getting help can be found in the [contributing notes](CONTRIBUTING.md). ## How to cite If you use this package to access or serve OPTIMADE data, we kindly request that you consider citing the following: - Andersen *et al.*, OPTIMADE, an API for exchanging materials data, *Sci. Data* **8**, 217 (2021) [10.1038/s41597-021-00974-z](https://doi.org/10.1038/s41597-021-00974-z) - Evans *et al.*, optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs. *Journal of Open Source Software*, **6**(65), 3458 (2021) [10.21105/joss.03458](https://doi.org/10.21105/joss.03458) ## Links - [OPTIMADE Specification](https://github.com/Materials-Consortia/OPTIMADE/blob/develop/optimade.rst), the human-readable specification that this library is based on. - [optimade-validator-action](https://github.com/Materials-Consortia/optimade-validator-action), a GitHub action that can be used to validate implementations from a URL (using the validator from this repo). - [OpenAPI](https://github.com/OAI/OpenAPI-Specification), the machine-readable format used to specify the OPTIMADE API in [`openapi.json`](openapi/openapi.json) and [`index_openapi.json`](openapi/index_openapi.json). - [Interactive documentation](https://petstore.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json) generated from [`openapi.json`](openapi/openapi.json) (see also [interactive JSON editor](https://editor.swagger.io/?url=https://raw.githubusercontent.com/Materials-Consortia/optimade-python-tools/master/openapi/openapi.json)). - [pydantic](https://pydantic-docs.helpmanual.io/), the library used for generating the OpenAPI schema from [Python models](https://www.optimade.org/optimade-python-tools/all_models/). - [FastAPI](https://fastapi.tiangolo.com/), the framework used for generating the reference implementation expressed by the [`openapi.json`](openapi/openapi.json) specification. - [Lark](https://github.com/lark-parser/lark), the library used to parse the filter language in OPTIMADE queries. %prep %autosetup -n optimade-0.23.1 %build %py3_build %install %py3_install install -d -m755 %{buildroot}/%{_pkgdocdir} if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi pushd %{buildroot} if [ -d usr/lib ]; then find usr/lib -type f -printf "/%h/%f\n" >> filelist.lst fi if [ -d usr/lib64 ]; then find usr/lib64 -type f -printf "/%h/%f\n" >> filelist.lst fi if [ -d usr/bin ]; then find usr/bin -type f -printf "/%h/%f\n" >> filelist.lst fi if [ -d usr/sbin ]; then find usr/sbin -type f -printf "/%h/%f\n" >> filelist.lst fi touch doclist.lst if [ -d usr/share/man ]; then find usr/share/man -type f -printf "/%h/%f.gz\n" >> doclist.lst fi popd mv %{buildroot}/filelist.lst . mv %{buildroot}/doclist.lst . %files -n python3-optimade -f filelist.lst %dir %{python3_sitelib}/* %files help -f doclist.lst %{_docdir}/* %changelog * Fri May 05 2023 Python_Bot - 0.23.1-1 - Package Spec generated