Release 3.0.1

CHANGES.txt

@@ -1,5 +1,8 @@
 Changelog
 ---------
+# 3.0.1
+* remove setup.{py,cfg}, update pyproject.toml, use openbabel 3.2.0
+
 # 3.0.0
 * added new `--regions` flag to enable detection of interactions between protein regions (by @snbolz)
 * reworked XML and TXT report file naming; changes default behavior

plip/basic/config.py

@@ -1,4 +1,4 @@
-__version__ = '3.0.0'
+__version__ = '3.0.1'
 __maintainer__ = 'PharmAI GmbH (2020-2021) - www.pharm.ai - hello@pharm.ai'
 __citation_information__ = "Schake,P. Bolz,SN. et al. PLIP 2025: introducing protein–protein interactions to the protein–ligand interaction profiler. " \
                            "Nucl. Acids Res. (10 May 2025), gkaf361. doi: 10.1093/nar/gkaf361"

pyproject.toml

@@ -1,6 +1,6 @@
 [build-system]
 build-backend = "setuptools.build_meta"
-requires = ["setuptools","pip","requests"]
+requires = ["setuptools"]
 
 [project]
 name = "plip"
@@ -31,13 +31,14 @@ classifiers = [
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
     "Topic :: Scientific/Engineering :: Bio-Informatics"
 ]
 
 dependencies = [
     "numpy>=1.13.3",
     "lxml>=4.2.1",
-    "openbabel>=3.1.1",
+    "openbabel>=3.2.0",
 ]
 
 [project.urls]