Merge pull request #161 from andthum/chore/release/v0.5.0

Prepare New Release (`0.5.0`)

Author: andthum

.pre-commit-config.yaml

@@ -108,7 +108,7 @@ repos:
       - id: "check-pre-commit-ci-config"
 
   - repo: "https://github.com/python-jsonschema/check-jsonschema"
-    rev: "0.27.3"
+    rev: "0.27.4"
     hooks:
       # Validate Dependabot Config (v2) against the schema provided by
       # SchemaStore.
@@ -193,7 +193,7 @@ repos:
           - "pep8-naming >=0.1, <1.0"
 
   - repo: "https://github.com/PyCQA/bandit"
-    rev: "1.7.6"
+    rev: "1.7.7"
     hooks:
       # Check code security with bandit.
       - id: "bandit"

AUTHORS.rst

@@ -27,6 +27,10 @@ Upcoming release
       `[project]` section in `pyproject.toml`.
     * Andreas Thum
 
+0.5.0
+
+    * Andreas Thum
+
 0.4.0
 
     * Andreas Thum

pyproject.toml

@@ -8,7 +8,7 @@
 # https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
 # Keep in sync with CITATION.cff and AUTHORS.rst!
 name = "hpcss"
-version = "0.4.0"
+version = "0.5.0"
 description = "Slurm scripts to run and analyze MD simulations on HPC clusters"
 readme = "README.rst"
 requires-python = ">=3.8, <3.12"

requirements-dev.txt

@@ -20,6 +20,6 @@ flake8-rst-docstrings >=0.2.6, <1.0
 isort >=5.0, <6.0
 pep8-naming >=0.1, <1.0
 pre-commit >=3.0, <4.0
-pytest >=7.0, <8.0
+pytest >=8.0, <9.0
 shellcheck-py >=0.1, <1.0
 shfmt-py >=3.0, <4.0