Release v1.0.2

CHANGELOG.md

@@ -1,5 +1,12 @@
 # Changelog
 
+## v1.0.2 2024-04-26
+
+- Fixing an issue in which some LAMMPS vectorial properties were not working properly.
+- Changed how the formatting of the dump command is done to prevent issues from vectorial quantities with undetermined size.
+- Added the capability to override the dimension and boundary commands in LAMMPS.
+- Pinning the version of jsonschema to avoid issues with python>=3.9.
+
 ## v1.0.1 2023-11-28
 
 Minor internal improvements to the code base

pyproject.toml

@@ -62,6 +62,8 @@ docs = [
     "furo",
 ]
 
+pre-commit = ['pre-commit~=2.17']
+
 [project.entry-points."aiida.calculations"]
 "lammps.base" = "aiida_lammps.calculations.base:LammpsBaseCalculation"
 "lammps.raw" = "aiida_lammps.calculations.raw:LammpsRawCalculation"
@@ -116,6 +118,13 @@ commands =
 	 rm -r {toxworkdir}/.aiida
 extras = tests
 
+[testenv:pre-commit]
+allowlist_externals = bash
+commands = bash -ec 'pre-commit run --all-files || ( git diff; git status; exit 1; )'
+extras =
+       pre-commit
+       tests
+
 [testenv:docs-{clean,update}]
 extras = docs
 description =