Merge branch 'pr/bastonero/24' into develop

.gitignore

@@ -19,6 +19,8 @@ develop-eggs
 .installed.cfg
 lib
 lib64
+.devcontainer
+.vscode
 
 # Installer logs
 pip-log.txt

.pre-commit-config.yaml

@@ -1,5 +1,3 @@
-# See https://pre-commit.com for more informatio
-# See https://pre-commit.com/hooks.html for more hooks
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
   rev: v4.0.1
@@ -15,12 +13,12 @@ repos:
   hooks:
   - id: flake8
     args:
-    - "--max-line-length=88"
+    - "--max-line-length=120"
     - "--ignore=E203,W503"
 
 - repo: https://github.com/psf/black
   rev: 21.12b0
   hooks:
   - id: black
     args:
-    - --line-length=88
+    - --line-length=120

PEOPLE.md

@@ -0,0 +1,4 @@
+Reference people:
+* Lorenzo Bastonero - aiida-phonopy (version>=0.7.0)
+* Atsushi Togo - phonopy, phono3py, aiida-phonopy
+* Abel Carreras Conill - aiida-phonopy (early versions)

README.md

@@ -2,6 +2,6 @@
 
 # AiiDA Phonopy plugin
 
-This a phonopy plugin for AiiDA. This plugin includes workflows to calculate
-phonons with supercell and finite displacement approaches. Currently VASP and QE
-are supported.
+This the official Phonopy plugin for AiiDA. This plugin includes workflows and post process calculation to compute phonons and related properties through supercells and finite displacements approaches.
+
+The workflows are designed to be used with ``aiida-common-workflows``, where several quantum engines can be chosen as the force calculator. Nevertheless, the implementation allows for the possibility to use such workflows in other plugins. Read the documentation for development for more information.

aiida_phonopy/__init__.py

@@ -0,0 +1,3 @@
+# -*- coding: utf-8 -*-
+"""The official AiiDA plugin for Phonopy."""
+__version__ = "0.7.0"