diff --git a/README.md b/README.md index f9a5309..0f00dea 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,16 @@ # `aiida-hubbard` -AiiDA plugin for the Hubbard module of Quantum ESPRESSO. -The plugin requires HP v7.2 or above and is not compatible with older versions. +AiiDA plugin for the first-principles calculation of Hubbard parameters. -This is the official AiiDA plugin for the [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) code of [Quantum ESPRESSO](https://www.quantum-espresso.org/). +This is also the official AiiDA plugin for the [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) code of [Quantum ESPRESSO](https://www.quantum-espresso.org/). + +| | | +|-----|----------------------------------------------------------------------------| +|Latest release| [![PyPI version](https://badge.fury.io/py/aiida-hubbard.svg)](https://badge.fury.io/py/aiida-hubbard)[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard) | +|Getting help| [![Docs status](https://readthedocs.org/projects/aiida-hubbard/badge)](http://aiida-hubbard.readthedocs.io/) [![Discourse status](https://img.shields.io/discourse/status?server=https%3A%2F%2Faiida.discourse.group%2F)](https://aiida.discourse.group/) +|Build status| [![Build Status](https://github.com/aiidateam/aiida-hubbard/actions/workflows/ci.yml/badge.svg?branch=master)](https://github.com/aiidateam/aiida-hubbard/actions) [![Coverage Status](https://codecov.io/gh/aiidateam/aiida-hubbard/branch/master/graph/badge.svg)](https://codecov.io/gh/aiidateam/aiida-hubbard) | +|Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-hubbard.svg?style=flat)](https://pypistats.org/packages/aiida-hubbard) [![Commit Activity](https://img.shields.io/github/commit-activity/m/aiidateam/aiida-hubbard.svg)](https://github.com/aiidateam/aiida-hubbard/pulse) +|Community| [![Discourse](https://img.shields.io/discourse/topics?server=https%3A%2F%2Faiida.discourse.group%2F&logo=discourse)](https://aiida.discourse.group/) ## Compatibility matrix @@ -11,12 +18,12 @@ The matrix below assumes the user always install the latest patch release of the | Plugin | AiiDA | Python | Quantum ESPRESSO | |-|-|-|-| -| `v0.1.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] | [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.python.org/pypi/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v7.2-7.4] | +| `v0.1.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] | [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard) | ![Quantum ESPRESSO compatibility][QE v7.2-7.4] | ## Installation To install using pip, simply execute: - pip install git+https://github.com/aiidateam/aiida-hubbard + pip install aiida-hubbard or when installing from source: diff --git a/docs/source/index.md b/docs/source/index.md index 1f780f1..4c7b5c3 100644 --- a/docs/source/index.md +++ b/docs/source/index.md @@ -39,9 +39,12 @@ reference/index # AiiDA Hubbard -An AiiDA plugin package for the calculation of Hubbard parameters from first-principles using the [Quantum ESPRESSO](http://www.quantumespresso.org) and HP software suite. Compute onsites and intersites Hubbard parameters self-consistently and in automated fashion through state-of-the-art DFPT implementation, leveraging maximal parallel computation over atoms and monochromatic perturbations, along with data provenance provided by AiiDA. +An AiiDA plugin package for the calculation of Hubbard parameters from first-principles using the [Quantum ESPRESSO](http://www.quantumespresso.org) and [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) software suite. Compute onsites and intersites Hubbard parameters self-consistently and in automated fashion through state-of-the-art DFPT implementation, leveraging maximal parallel computation over atoms and monochromatic perturbations, along with data provenance provided by AiiDA. -**aiida-hubbard version:** {{ release }} +[![PyPI version](https://badge.fury.io/py/aiida-hubbard.svg)](https://badge.fury.io/py/aiida-hubbard) +[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard) +[![Build Status](https://github.com/aiidateam/aiida-hubbard/actions/workflows/ci.yml/badge.svg?branch=master)](https://github.com/aiidateam/aiida-hubbard/actions) +[![Docs status](https://readthedocs.org/projects/aiida-hubbard/badge)](http://aiida-hubbard.readthedocs.io/) ______________________________________________________________________ diff --git a/pyproject.toml b/pyproject.toml index 64edd17..ca9342c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -6,13 +6,13 @@ build-backend = 'flit_core.buildapi' name = 'aiida-hubbard' dynamic = ['description', 'version'] authors = [ - {name = 'Sebastiaan P. Huber', email = 'mail@sphuber.net'}, {name = 'Lorenzo Bastonero', email = 'lbastone@uni-bremen.de'} + {name = 'Sebastiaan P. Huber', email = 'mail@sphuber.net'}, ] readme = 'README.md' license = {file = 'LICENSE.txt'} classifiers = [ - 'Development Status :: 4 - Beta', + 'Development Status :: 5 - Production/Stable', 'Framework :: AiiDA', 'License :: Free To Use But Restricted', 'Operating System :: POSIX :: Linux',