diff --git a/.Rbuildignore b/.Rbuildignore index c45bf89..2623983 100644 --- a/.Rbuildignore +++ b/.Rbuildignore @@ -12,3 +12,4 @@ revdep/ ^docs$ ^pkgdown$ ^\.github$ +^cran-comments\.md$ diff --git a/DESCRIPTION b/DESCRIPTION index 1522a3c..228eaa2 100644 --- a/DESCRIPTION +++ b/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 . -RoxygenNote: 7.3.1 +RoxygenNote: 7.3.3 URL: https://cdk-r.github.io/rcdklibs/ diff --git a/Makefile b/Makefile index 5b76133..5b2f8ca 100644 --- a/Makefile +++ b/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-$(CDK_VERSION)/bundle && mvn compile war:war -P jdk11-plus && cd ../../.. diff --git a/NEWS.md b/NEWS.md index f50babc..70e6cdc 100644 --- a/NEWS.md +++ b/NEWS.md @@ -1,3 +1,9 @@ +# v2.11 + +- Update to CDK 2.11 libraries. +- Add Egon as contributor + + # v2.9 - Update to CDK 2.9 libraries. diff --git a/README.Rmd b/README.Rmd index 270190d..9d4f01c 100644 --- a/README.Rmd +++ b/README.Rmd @@ -16,7 +16,6 @@ knitr::opts_chunk$set( # rcdklibs -[![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) diff --git a/README.md b/README.md index fa95a18..734c5b9 100644 --- a/README.md +++ b/README.md @@ -5,8 +5,6 @@ -[![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 diff --git a/cran-comments.md b/cran-comments.md index 0ce813c..a201bef 100644 --- a/cran-comments.md +++ b/cran-comments.md @@ -1,25 +1,12 @@ -## General Comments - -- This is a resubmission of rcdklibs-2.8. I have fixed a few NOTES relates to R code quality or inactive URLs. -- I have also updates a few types found in the docs. -- I'd like to reiterate that this package is submitted with rcdk v3.7 and they should be evaluated together. - - ## R CMD check results -There were no ERRORs or WARNINGs. - -There was 1 NOTE: -* checking installed package size ... NOTE - installed size is 24.3Mb +❯ checking installed package size ... 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