Merge pull request #6 from CDK-R/20250910-vbump

20250910 vbump

Author: zachcp

.Rbuildignore

@@ -12,3 +12,4 @@ revdep/
 ^docs$
 ^pkgdown$
 ^\.github$
+^cran-comments\.md$

DESCRIPTION

@@ -1,11 +1,13 @@
 Package: rcdklibs
-Version: 2.9
-Date: 2024-03-02
+Version: 2.11
+Date: 2025-09-10
 Authors@R: c(
   person('Rajarshi', 'Guha', ,'rajarshi.guha@gmail.com', role=c('aut'),
     comment = c(ORCID = "0000-0001-7403-8819")),
   person('Zachary', 'Charlop-Powers', ,'zach.charlop.powers@gmail.com',role=c('cre'), 
       comment = c(ORCID = "0000-0001-8816-4680")),
+  person('Egon', 'Willighagen', ,'egon.willighagen@maastrichtuniversity.nl', role=c('ctb'), 
+      comment = c(ORCID = "0000-0001-7542-0286")),
   person('CDK Project', '', role=c('ctb', 'cph'), comment='CDK Java library contained in multiple jar files'))
 Depends:
     R (>= 2.0.0),
@@ -19,5 +21,5 @@ Description: An R interface to the Chemistry Development Kit, a Java library
     interact with the CDK using 'rJava'. However 'rcdk' exposes functionality in a more
     idiomatic way. The CDK library itself is released as LGPL and the sources can be
     obtained from <https://github.com/cdk/cdk>.
-RoxygenNote: 7.3.1
+RoxygenNote: 7.3.3
 URL: https://cdk-r.github.io/rcdklibs/

Makefile

@@ -1,5 +1,5 @@
 
-CDK_VERSION=2.9
+CDK_VERSION=2.11
 JAR_DIR=cdk/cdk-cdk-$(CDK_VERSION)/bundle/target/cdk-bundle-$(CDK_VERSION)/WEB-INF/lib
 
 cdk.zip:
@@ -11,8 +11,8 @@ build: cdk.zip
 	# 88 - 92 is cdk-pdb
 	# 148-157 is cdk-builder3d and builder3d-tools
 	# 248-252 is cdk-pdbcml
-	# 372-376 is cdk-iordf 
-	sed -i .bak -e '88,92d;148,157d;248,252d;372,376d;' cdk/cdk-cdk-$(CDK_VERSION)/bundle/pom.xml
+	# 372-378 is cdk-iordf 
+	sed -i .bak -e '88,92d;148,157d;248,252d;372,378d;' cdk/cdk-cdk-$(CDK_VERSION)/bundle/pom.xml
 	cd cdk/cdk-cdk-$(CDK_VERSION)/bundle && mvn compile war:war -P jdk11-plus && cd ../../..
 
 

NEWS.md

@@ -16,7 +16,6 @@ knitr::opts_chunk$set(
 # rcdklibs
 
 <!-- badges: start -->
-[![Build Status](https://api.travis-ci.org/CDK-R/rcdklibs.svg?branch=master)](https://travis-ci.org/CDK-R/rcdklibs)
 [![CRAN Version](https://www.r-pkg.org/badges/version/rcdklibs?color=green)](https://cran.r-project.org/package=rcdklibs)
 [![CRAN Downloads](http://cranlogs.r-pkg.org/badges/grand-total/rcdklibs?color=green)](https://cran.r-project.org/package=rcdklibs)
 [![CRAN Downloads Monthyl](http://cranlogs.r-pkg.org/badges/last-month/rcdklibs?color=green)](https://cran.r-project.org/package=rcdklibs)