diff --git a/rcdk/DESCRIPTION b/rcdk/DESCRIPTION index 235f11f09..1560bdd4a 100755 --- a/rcdk/DESCRIPTION +++ b/rcdk/DESCRIPTION @@ -29,6 +29,8 @@ License: LGPL URL: https://github.com/CDK-R/cdkr LazyLoad: yes LazyData: true +SystemRequirements: Java (>= 8) +BugReports: https://github.com/CDK-R/cdkr/issues Description: Allows the user to access functionality in the 'CDK', a Java framework for chemoinformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. diff --git a/rcdk/NEWS.md b/rcdk/NEWS.md index 18d42d1b2..93b8833b6 100755 --- a/rcdk/NEWS.md +++ b/rcdk/NEWS.md @@ -5,6 +5,8 @@ # rcdk 3.8.0 * Change DESCRIPTION in accordance with CRAN rules about JDKs +* Fix System Requirements line + # rcdk 3.7.0 diff --git a/rcdk/R/formula.R b/rcdk/R/formula.R index 71e5d8938..dfa58ac84 100755 --- a/rcdk/R/formula.R +++ b/rcdk/R/formula.R @@ -12,7 +12,7 @@ #' mass and window accuracy #' @author Miguel Rojas-Cherto (\email{miguelrojasch@@yahoo.es}) #' @references A parallel effort to expand the Chemistry Development -#' Kit: \url{http://cdk.sourceforge.net} +#' Kit: \url{https://cdk.github.io/} #' @seealso #' \code{\link{get.formula}} #' \code{\link{set.charge.formula}} diff --git a/rcdk/cran-comments.md b/rcdk/cran-comments.md index 1c454c230..cd7560c9f 100755 --- a/rcdk/cran-comments.md +++ b/rcdk/cran-comments.md @@ -1,36 +1,5 @@ ## General Comments -- This is a resubmission of rcdk-3.7. I have fixed a few NOTES relates to R code quality. -- There is an ERROR on the cloud system related to a difference between the primary dependency of this library, rcdklibs. -- This package should be co-evaluated with rcdklibs - - - -## Submission -rCDK v 3.7.0 - -## Test environments -* local OS X install, R 4.2 -* win-builder (release) - -## R CMD check results - -0 errors | 0 warnings | 0 note - - -## Reverse dependencies - -Using the latest rcdklibs (2.8) and this version of rcdk (3.7) I obtained the following -results. - ---- - -``` -✔ DeepPINCS 1.4.0 ── E: 0 | W: 0 | N: 2 -✔ Rcpi 1.32.2 ── E: 0 | W: 0 | N: 2 -✔ RMassBank 3.6.1 ── E: 0 | W: 4 | N: 4 -✔ RxnSim 1.0.3 ── E: 0 | W: 0 | N: 0 -✔ webchem 1.1.3 ── E: 0 | W: 0 | N: 0 -``` - - +- submission of rcdk 3.8.1 +- fix to the SystemRequirements Field +- update CITATION file diff --git a/rcdk/inst/CITATION b/rcdk/inst/CITATION index b425618f4..564eea29e 100755 --- a/rcdk/inst/CITATION +++ b/rcdk/inst/CITATION @@ -1,6 +1,7 @@ citHeader("To cite rcdk in publications use:") -citEntry(entry = "article", - author = personList(person(given="Rajarshi",family="Guha", email="rajarshi.guha@gmail.com")), +bibentry( + bibtype = "article", + author = c(person(given="Rajarshi",family="Guha", email="rajarshi.guha@gmail.com")), journal = "Journal of Statistical Software", number = 6, title = "Chemical Informatics Functionality in R", diff --git a/rcdk/man/cdkFormula-class.Rd b/rcdk/man/cdkFormula-class.Rd index d7bb0e434..2f75fcef3 100755 --- a/rcdk/man/cdkFormula-class.Rd +++ b/rcdk/man/cdkFormula-class.Rd @@ -18,7 +18,7 @@ This class handles molecular formulae. It provides extra \references{ A parallel effort to expand the Chemistry Development - Kit: \url{http://cdk.sourceforge.net} + Kit: \url{https://cdk.github.io/} } \seealso{ \code{\link{get.formula}}