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BioC 3.5: CHECK report for ChemmineR on tokay2

This page was generated on 2017-08-16 13:20:05 -0400 (Wed, 16 Aug 2017).

Package 201/1382HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
ChemmineR 2.28.1
Thomas Girke
Snapshot Date: 2017-08-15 17:17:57 -0400 (Tue, 15 Aug 2017)
URL: https://hedgehog.fhcrc.org/bioconductor/branches/RELEASE_3_5/madman/Rpacks/ChemmineR
Last Changed Rev: 130824 / Revision: 131943
Last Changed Date: 2017-06-30 17:37:15 -0400 (Fri, 30 Jun 2017)
malbec2 Linux (Ubuntu 16.04.1 LTS) / x86_64  OK  OK  OK UNNEEDED, same version exists in internal repository
tokay2 Windows Server 2012 R2 Standard / x64  OK  OK [ OK ] OK UNNEEDED, same version exists in internal repository
veracruz2 OS X 10.11.6 El Capitan / x86_64  OK  OK  WARNINGS  OK UNNEEDED, same version exists in internal repository

Summary

Package: ChemmineR
Version: 2.28.1
Command: rm -rf ChemmineR.buildbin-libdir ChemmineR.Rcheck && mkdir ChemmineR.buildbin-libdir ChemmineR.Rcheck && C:\Users\biocbuild\bbs-3.5-bioc\R\bin\R.exe CMD INSTALL --build --merge-multiarch --library=ChemmineR.buildbin-libdir ChemmineR_2.28.1.tar.gz >ChemmineR.Rcheck\00install.out 2>&1 && cp ChemmineR.Rcheck\00install.out ChemmineR-install.out && C:\Users\biocbuild\bbs-3.5-bioc\R\bin\R.exe CMD check --library=ChemmineR.buildbin-libdir --install="check:ChemmineR-install.out" --force-multiarch --no-vignettes --timings ChemmineR_2.28.1.tar.gz
StartedAt: 2017-08-15 22:36:55 -0400 (Tue, 15 Aug 2017)
EndedAt: 2017-08-15 22:41:03 -0400 (Tue, 15 Aug 2017)
EllapsedTime: 248.3 seconds
RetCode: 0
Status:  OK  
CheckDir: ChemmineR.Rcheck
Warnings: 0

Command output

##############################################################################
##############################################################################
###
### Running command:
###
###   rm -rf ChemmineR.buildbin-libdir ChemmineR.Rcheck && mkdir ChemmineR.buildbin-libdir ChemmineR.Rcheck && C:\Users\biocbuild\bbs-3.5-bioc\R\bin\R.exe CMD INSTALL --build --merge-multiarch --library=ChemmineR.buildbin-libdir ChemmineR_2.28.1.tar.gz >ChemmineR.Rcheck\00install.out 2>&1 && cp ChemmineR.Rcheck\00install.out ChemmineR-install.out  &&  C:\Users\biocbuild\bbs-3.5-bioc\R\bin\R.exe CMD check --library=ChemmineR.buildbin-libdir --install="check:ChemmineR-install.out" --force-multiarch --no-vignettes --timings ChemmineR_2.28.1.tar.gz
###
##############################################################################
##############################################################################


* using log directory 'C:/Users/biocbuild/bbs-3.5-bioc/meat/ChemmineR.Rcheck'
* using R version 3.4.1 (2017-06-30)
* using platform: x86_64-w64-mingw32 (64-bit)
* using session charset: ISO8859-1
* using option '--no-vignettes'
* checking for file 'ChemmineR/DESCRIPTION' ... OK
* checking extension type ... Package
* this is package 'ChemmineR' version '2.28.1'
* checking package namespace information ... OK
* checking package dependencies ... OK
* checking if this is a source package ... OK
* checking if there is a namespace ... OK
* checking for hidden files and directories ... OK
* checking for portable file names ... OK
* checking whether package 'ChemmineR' can be installed ... OK
* checking installed package size ... OK
* checking package directory ... OK
* checking 'build' directory ... OK
* checking DESCRIPTION meta-information ... NOTE
Package listed in more than one of Depends, Imports, Suggests, Enhances:
  'ChemmineOB'
A package should be listed in only one of these fields.
* checking top-level files ... OK
* checking for left-over files ... OK
* checking index information ... OK
* checking package subdirectories ... OK
* checking R files for non-ASCII characters ... OK
* checking R files for syntax errors ... OK
* loading checks for arch 'i386'
** checking whether the package can be loaded ... OK
** checking whether the package can be loaded with stated dependencies ... OK
** checking whether the package can be unloaded cleanly ... OK
** checking whether the namespace can be loaded with stated dependencies ... OK
** checking whether the namespace can be unloaded cleanly ... OK
* loading checks for arch 'x64'
** checking whether the package can be loaded ... OK
** checking whether the package can be loaded with stated dependencies ... OK
** checking whether the package can be unloaded cleanly ... OK
** checking whether the namespace can be loaded with stated dependencies ... OK
** checking whether the namespace can be unloaded cleanly ... OK
* checking dependencies in R code ... NOTE
'library' or 'require' calls in package code:
  'ChemmineDrugs' 'ChemmineOB' 'RPostgreSQL' 'RSQLite' 'fmcsR' 'grid'
  'png' 'snow'
  Please use :: or requireNamespace() instead.
  See section 'Suggested packages' in the 'Writing R Extensions' manual.
Namespace in Imports field not imported from: 'BiocGenerics'
  All declared Imports should be used.
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
Found the following possibly unsafe calls:
File 'ChemmineR/R/sim.R':
  unlockBinding(".progress_bar_int_cnt", environment(.progress_bar))

.data.frame.to.str: no visible global function definition for
  'write.table'
.data.frame.to.str: no visible binding for global variable 'string'
.parseV3000: no visible binding for global variable 'AW'
.rings: no visible global function definition for 'combn'
applyOptions: no visible global function definition for 'convertFormat'
browseJob: no visible global function definition for 'browseURL'
canonicalNumbering: no visible global function definition for
  'canonicalNumbering_OB'
canonicalNumberingOB: no visible global function definition for
  'canonicalNumbering_OB'
cluster.visualize: no visible global function definition for 'rainbow'
cluster.visualize: no visible global function definition for 'pdf'
cluster.visualize: no visible global function definition for
  'postscript'
cluster.visualize: no visible global function definition for 'dev.off'
concatenate_plots: no visible binding for global variable 'arrangeGrob'
desc2fp: no visible global function definition for 'data'
draw_sdf: no visible global function definition for 'rgb'
draw_sdf: no visible global function definition for 'fmcs'
exactMassOB: no visible global function definition for 'exactMass_OB'
fingerprintOB: no visible global function definition for
  'fingerprint_OB'
getCompoundFeatures : <anonymous>: no visible global function
  definition for 'write.table'
getCompounds: no visible global function definition for 'str'
getDbConn: no visible global function definition for 'error'
handle_raster: no visible global function definition for 'readPNG'
handle_raster: no visible global function definition for 'rasterGrob'
handle_segs: no visible binding for global variable 'C1'
handle_segs: no visible binding for global variable 'C2'
handle_segs: no visible binding for global variable 'C1.1'
handle_segs: no visible binding for global variable 'C2.1'
handle_text: no visible binding for global variable 'C1'
handle_text: no visible binding for global variable 'C2'
listCMTools: no visible global function definition for 'read.table'
parBatchByIndex: no visible global function definition for
  'clusterExport'
parBatchByIndex: no visible global function definition for
  'clusterApplyLB'
postgresqlWriteTable: no visible global function definition for
  'postgresqlTableRef'
postgresqlWriteTable: no visible global function definition for
  'postgresqlQuoteId'
postgresqlWriteTable: no visible global function definition for
  'postgresqlpqExec'
postgresqlWriteTable: no visible global function definition for
  'postgresqlCopyInDataframe'
postgresqlWriteTable: no visible global function definition for
  'postgresqlgetResult'
propOB: no visible global function definition for 'prop_OB'
read.AP: no visible global function definition for 'read.delim'
sdf2OBMol: no visible global function definition for 'forEachMol'
sdf2smiles: no visible global function definition for 'convertFormat'
sdf2smilesOB: no visible global function definition for 'convertFormat'
sdfStream: no visible global function definition for 'write.table'
setPriorities: no visible global function definition for
  'clusterExport'
smartsSearchOB: no visible global function definition for
  'smartsSearch_OB'
smile2sdfFile: no visible global function definition for
  'convertFormatFile'
smiles2sdf: no visible global function definition for 'convertFormat'
smiles2sdfOB: no visible global function definition for 'convertFormat'
write.SMI: no visible global function definition for 'write.table'
Undefined global functions or variables:
  AW C1 C1.1 C2 C2.1 arrangeGrob browseURL canonicalNumbering_OB
  clusterApplyLB clusterExport combn convertFormat convertFormatFile
  data dev.off error exactMass_OB fingerprint_OB fmcs forEachMol pdf
  postgresqlCopyInDataframe postgresqlQuoteId postgresqlTableRef
  postgresqlgetResult postgresqlpqExec postscript prop_OB rainbow
  rasterGrob read.delim read.table readPNG rgb smartsSearch_OB str
  string write.table
Consider adding
  importFrom("grDevices", "dev.off", "pdf", "postscript", "rainbow",
             "rgb")
  importFrom("utils", "browseURL", "combn", "data", "read.delim",
             "read.table", "str", "write.table")
to your NAMESPACE file.
* checking Rd files ... OK
* checking Rd metadata ... OK
* checking Rd cross-references ... OK
* checking for missing documentation entries ... OK
* checking for code/documentation mismatches ... OK
* checking Rd \usage sections ... OK
* checking Rd contents ... OK
* checking for unstated dependencies in examples ... OK
* checking contents of 'data' directory ... OK
* checking data for non-ASCII characters ... OK
* checking data for ASCII and uncompressed saves ... OK
* checking line endings in C/C++/Fortran sources/headers ... OK
* checking line endings in Makefiles ... OK
* checking compilation flags in Makevars ... OK
* checking for GNU extensions in Makefiles ... NOTE
GNU make is a SystemRequirements.
* checking for portable use of $(BLAS_LIBS) and $(LAPACK_LIBS) ... OK
* checking compiled code ... NOTE
Note: information on .o files for i386 is not available
Note: information on .o files for x64 is not available
File 'C:/Users/biocbuild/bbs-3.5-bioc/meat/ChemmineR.buildbin-libdir/ChemmineR/libs/i386/ChemmineR.dll':
  Found 'abort', possibly from 'abort' (C), 'runtime' (Fortran)
  Found 'exit', possibly from 'exit' (C), 'stop' (Fortran)
  Found 'printf', possibly from 'printf' (C)

Compiled code should not call entry points which might terminate R nor
write to stdout/stderr instead of to the console, nor the system RNG.
The detected symbols are linked into the code but might come from
libraries and not actually be called.

See 'Writing portable packages' in the 'Writing R Extensions' manual.
* checking installed files from 'inst/doc' ... OK
* checking files in 'vignettes' ... OK
* checking examples ...
** running examples for arch 'i386' ... OK
** running examples for arch 'x64' ... OK
* checking for unstated dependencies in 'tests' ... OK
* checking tests ...
** running tests for arch 'i386' ...
  Running 'runTests.R'
 OK
** running tests for arch 'x64' ...
  Running 'runTests.R'
 OK
* checking for unstated dependencies in vignettes ... OK
* checking package vignettes in 'inst/doc' ... OK
* checking running R code from vignettes ... SKIPPED
* checking re-building of vignette outputs ... SKIPPED
* checking PDF version of manual ... OK
* DONE

Status: 5 NOTEs
See
  'C:/Users/biocbuild/bbs-3.5-bioc/meat/ChemmineR.Rcheck/00check.log'
for details.


ChemmineR.Rcheck/00install.out:


install for i386

* installing *source* package 'ChemmineR' ...
** libs
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c DisjointSets.cpp -o DisjointSets.o
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c cluster.cc -o cluster.o
cluster.cc: In function 'int nbr_intersect(std::vector<int>&, std::vector<int>&)':
cluster.cc:118:11: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (i < nbrs1.size() and j < nbrs2.size()) {
           ^
cluster.cc:118:32: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (i < nbrs1.size() and j < nbrs2.size()) {
                                ^
cluster.cc: In function 'int contains(int, std::vector<int>&)':
cluster.cc:131:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < list.size(); i++)
                 ^
cluster.cc: In function 'DisjointSets cluster(int, int, int, int)':
cluster.cc:267:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   for (int j = 0; j < nbr_list[i].size(); j ++) {
                     ^
cluster.cc: In function 'void loadNNMatrix(int, int, int, SEXP)':
cluster.cc:284:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++) //rows
                     ^
cluster.cc:298:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   if(nbrs.size() < minNbrs) // will end up a singleton
                  ^
cluster.cc: In function 'void loadNNList(int, int, SEXP)':
cluster.cc:314:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++) //rows
                     ^
cluster.cc:332:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   if(nbrs.size() < minNbrs) // will end up a singleton
                  ^
cluster.cc: In function 'SEXPREC* jarvis_patrick(SEXP, SEXP, SEXP, SEXP, SEXP)':
cluster.cc:390:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++){
                     ^
cluster.cc: At global scope:
cluster.cc:49:13: warning: 'void prepare_neighbors(const char*, int, int)' defined but not used [-Wunused-function]
 void static prepare_neighbors(const char* nbr_file, int skip, int p)
             ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c cstrsplit.cc -o cstrsplit.o
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c desc.cc -o desc.o
desc.cc: In function 'SEXPREC* genAPDescriptor(SEXP)':
desc.cc:249:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < descs.size(); i++)
                 ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c fingerprints.cc -o fingerprints.o
fingerprints.cc: In function 'SEXPREC* uniquifyAtomPairs(SEXP)':
fingerprints.cc:138:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++)
                 ^
fingerprints.cc:145:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++){
                 ^
fingerprints.cc:158:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++){
                 ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c formats.cc -o formats.o
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c molecule.cc -o molecule.o
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c r_wrap.cc -o r_wrap.o
r_wrap.cc: In function 'SEXPREC* SWIG_MakePtr(void*, const char*, R_SWIG_Owner)':
r_wrap.cc:949:15: warning: variable 'p' set but not used [-Wunused-but-set-variable]
   const char *p = typeName;
               ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c script.cc -o script.o
In file included from script.cc:2:0:
desc.h:39:13: warning: 'elements' defined but not used [-Wunused-variable]
 static char elements[112][3] = {
             ^
C:/Rtools/mingw_32/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c similarity.cc -o similarity.o
In file included from similarity.cc:1:0:
desc.h:39:13: warning: 'elements' defined but not used [-Wunused-variable]
 static char elements[112][3] = {
             ^
C:/Rtools/mingw_32/bin/g++ -shared -s -static-libgcc -o ChemmineR.dll tmp.def DisjointSets.o cluster.o cstrsplit.o desc.o fingerprints.o formats.o molecule.o r_wrap.o script.o similarity.o -LC:/local323/lib/i386 -LC:/local323/lib -LC:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/bin/i386 -lR
installing to C:/Users/biocbuild/bbs-3.5-bioc/meat/ChemmineR.buildbin-libdir/ChemmineR/libs/i386
** R
** data
** inst
** preparing package for lazy loading
** help
*** installing help indices
** building package indices
** installing vignettes
** testing if installed package can be loaded

install for x64

* installing *source* package 'ChemmineR' ...
** libs
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c DisjointSets.cpp -o DisjointSets.o
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c cluster.cc -o cluster.o
cluster.cc: In function 'int nbr_intersect(std::vector<int>&, std::vector<int>&)':
cluster.cc:118:11: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (i < nbrs1.size() and j < nbrs2.size()) {
           ^
cluster.cc:118:32: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (i < nbrs1.size() and j < nbrs2.size()) {
                                ^
cluster.cc: In function 'int contains(int, std::vector<int>&)':
cluster.cc:131:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < list.size(); i++)
                 ^
cluster.cc: In function 'DisjointSets cluster(int, int, int, int)':
cluster.cc:267:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   for (int j = 0; j < nbr_list[i].size(); j ++) {
                     ^
cluster.cc: In function 'void loadNNMatrix(int, int, int, SEXP)':
cluster.cc:284:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++) //rows
                     ^
cluster.cc:298:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   if(nbrs.size() < minNbrs) // will end up a singleton
                  ^
cluster.cc: In function 'void loadNNList(int, int, SEXP)':
cluster.cc:314:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++) //rows
                     ^
cluster.cc:332:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   if(nbrs.size() < minNbrs) // will end up a singleton
                  ^
cluster.cc: In function 'SEXPREC* jarvis_patrick(SEXP, SEXP, SEXP, SEXP, SEXP)':
cluster.cc:390:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(unsigned i=0; i<N; i++){
                     ^
cluster.cc: At global scope:
cluster.cc:49:13: warning: 'void prepare_neighbors(const char*, int, int)' defined but not used [-Wunused-function]
 void static prepare_neighbors(const char* nbr_file, int skip, int p)
             ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c cstrsplit.cc -o cstrsplit.o
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c desc.cc -o desc.o
desc.cc: In function 'SEXPREC* genAPDescriptor(SEXP)':
desc.cc:249:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < descs.size(); i++)
                 ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c fingerprints.cc -o fingerprints.o
fingerprints.cc: In function 'SEXPREC* uniquifyAtomPairs(SEXP)':
fingerprints.cc:138:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++)
                 ^
fingerprints.cc:145:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++){
                 ^
fingerprints.cc:158:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  for(int i=0; i < aps.size(); i++){
                 ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c formats.cc -o formats.o
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c molecule.cc -o molecule.o
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c r_wrap.cc -o r_wrap.o
r_wrap.cc: In function 'SEXPREC* SWIG_MakePtr(void*, const char*, R_SWIG_Owner)':
r_wrap.cc:949:15: warning: variable 'p' set but not used [-Wunused-but-set-variable]
   const char *p = typeName;
               ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c script.cc -o script.o
In file included from script.cc:2:0:
desc.h:39:13: warning: 'elements' defined but not used [-Wunused-variable]
 static char elements[112][3] = {
             ^
C:/Rtools/mingw_64/bin/g++  -I"C:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/include" -DNDEBUG  -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/Rcpp/include" -I"C:/Users/biocbuild/bbs-3.5-bioc/R/library/BH/include"   -I"C:/local323/include"  -DNO_MAIN -DNO_DEBUG   -O2 -Wall  -mtune=core2 -c similarity.cc -o similarity.o
In file included from similarity.cc:1:0:
desc.h:39:13: warning: 'elements' defined but not used [-Wunused-variable]
 static char elements[112][3] = {
             ^
C:/Rtools/mingw_64/bin/g++ -shared -s -static-libgcc -o ChemmineR.dll tmp.def DisjointSets.o cluster.o cstrsplit.o desc.o fingerprints.o formats.o molecule.o r_wrap.o script.o similarity.o -LC:/local323/lib/x64 -LC:/local323/lib -LC:/Users/BIOCBU˜1/BBS-3˜1.5-B/R/bin/x64 -lR
installing to C:/Users/biocbuild/bbs-3.5-bioc/meat/ChemmineR.buildbin-libdir/ChemmineR/libs/x64
** testing if installed package can be loaded
* MD5 sums
packaged installation of 'ChemmineR' as ChemmineR_2.28.1.zip
* DONE (ChemmineR)

ChemmineR.Rcheck/examples_i386/ChemmineR-Ex.timings:

nameusersystemelapsed
AP-class0.590.030.62
APset-class0.660.020.68
ExtSDF-class000
FP-class0.090.010.11
FPset-class0.380.020.39
SDF-class0.060.000.06
SDF2apcmp0.020.000.01
SDFset-class0.260.050.32
SDFset2SDF0.100.000.09
SDFset2list0.040.010.06
SDFstr-class0.30.00.3
SMI-class0.000.020.02
SMIset-class000
addDescriptorType000
addNewFeatures2.780.112.89
ap0.080.000.07
apfp000
apset0.010.000.02
apset2descdb0.210.070.28
atomblock0.080.000.08
atomcount0.120.040.16
atomprop0.020.000.01
atomsubset0.090.000.10
batchByIndex000
bondblock0.060.010.07
bonds0.030.000.03
browseJob000
bufferLines000
bufferResultSet000
byCluster0.750.000.75
canonicalNumbering0.180.020.27
canonicalize0.170.000.19
cid0.040.000.04
cluster.sizestat0.630.000.63
cluster.visualize0.640.000.66
cmp.cluster1.910.011.92
cmp.duplicated0.070.000.08
cmp.parse0.040.000.03
cmp.parse1000
cmp.search0.480.020.50
cmp.similarity0.020.000.01
conMA0.060.000.07
connections0.190.000.21
datablock0.150.010.18
datablock2ma0.050.000.04
db.explain0.030.020.05
db.subset000
dbTransaction0.020.000.02
desc2fp0.130.000.13
draw_sdf1.291.052.34
exactMassOB0.460.000.91
findCompounds2.180.012.20
findCompoundsByName0.330.020.34
fingerprintOB000
fold000
foldCount0.020.000.02
fp2bit0.480.010.50
fpSim0.350.020.36
fptype000
fromNNMatrix0.780.000.78
genAPDescriptors0.010.000.01
genParameters0.570.000.57
generate3DCoords000
getAllCompoundIds0.280.000.28
getCompoundFeatures0.250.010.27
getCompoundNames0.30.00.3
getCompounds0.310.020.32
getIds000
grepSDFset0.080.000.08
groups0.190.000.19
header0.060.000.06
initDb000
jarvisPatrick1.640.001.64
jobToken-class000
launchCMTool000
listCMTools000
listFeatures0.320.010.35
loadSdf202
makeUnique0.020.000.01
maximallyDissimilar0.170.000.18
nearestNeighbors0.890.000.89
numBits000
obmol0.030.000.03
parBatchByIndex000
plotStruc0.190.000.19
propOB000
pubchemFPencoding000
read.AP0.010.000.01
read.SDFindex0.020.000.02
read.SDFset0.490.000.49
read.SDFstr1.080.001.08
read.SMIset0.010.000.01
regenerateCoords000
result000
rings0.450.000.46
sdf.subset000
sdf.visualize0.070.000.06
sdf2ap0.260.040.31
sdf2list0.030.000.03
sdf2smiles000
sdf2str0.040.000.03
sdfStream0.010.020.04
sdfid0.020.000.01
sdfsample0.030.000.03
sdfstr2list0.910.091.00
searchSim000
searchString000
selectInBatches000
setPriorities000
smartsSearchOB000
smiles2sdf000
smisample000
status000
toolDetails000
trimNeighbors1.140.001.14
validSDF0.010.000.02
view0.050.000.05
write.SDF0.120.000.12
write.SDFsplit0.020.000.02
write.SMI000

ChemmineR.Rcheck/examples_x64/ChemmineR-Ex.timings:

nameusersystemelapsed
AP-class0.640.060.70
APset-class0.580.020.60
ExtSDF-class000
FP-class0.090.000.09
FPset-class0.480.000.49
SDF-class0.070.000.06
SDF2apcmp0.010.000.02
SDFset-class0.280.010.29
SDFset2SDF0.080.000.08
SDFset2list0.030.030.06
SDFstr-class0.270.000.27
SMI-class0.010.000.02
SMIset-class000
addDescriptorType000
addNewFeatures3.130.143.37
ap0.060.000.06
apfp0.020.000.02
apset000
apset2descdb0.280.000.28
atomblock0.080.020.09
atomcount0.170.000.18
atomprop000
atomsubset0.110.000.11
batchByIndex000
bondblock0.060.000.06
bonds0.030.000.03
browseJob000
bufferLines000
bufferResultSet000
byCluster0.630.000.62
canonicalNumbering0.150.031.29
canonicalize0.160.000.28
cid0.030.020.04
cluster.sizestat0.610.010.63
cluster.visualize0.630.000.67
cmp.cluster2.230.022.25
cmp.duplicated0.060.010.08
cmp.parse0.030.000.03
cmp.parse1000
cmp.search0.570.000.56
cmp.similarity0.010.000.02
conMA0.050.020.06
connections0.200.010.22
datablock0.20.00.2
datablock2ma0.070.000.06
db.explain0.040.000.05
db.subset0.020.000.02
dbTransaction0.020.000.01
desc2fp0.140.000.14
draw_sdf2.021.773.83
exactMassOB0.890.001.11
findCompounds3.280.013.67
findCompoundsByName0.550.040.58
fingerprintOB000
fold000
foldCount0.030.000.03
fp2bit0.410.030.44
fpSim0.330.030.36
fptype000
fromNNMatrix0.780.000.78
genAPDescriptors0.030.000.03
genParameters0.530.000.53
generate3DCoords000
getAllCompoundIds0.560.000.57
getCompoundFeatures0.50.00.5
getCompoundNames0.450.010.47
getCompounds0.440.020.45
getIds000
grepSDFset0.120.000.12
groups0.230.000.23
header0.080.000.08
initDb0.010.000.02
jarvisPatrick1.790.021.80
jobToken-class000
launchCMTool000
listCMTools000
listFeatures0.380.000.38
loadSdf2.870.002.87
makeUnique0.020.000.02
maximallyDissimilar0.210.000.21
nearestNeighbors0.890.000.89
numBits000
obmol0.050.000.05
parBatchByIndex000
plotStruc0.230.000.23
propOB000
pubchemFPencoding000
read.AP0.030.000.03
read.SDFindex0.020.000.02
read.SDFset0.640.000.64
read.SDFstr0.910.000.91
read.SMIset0.000.010.01
regenerateCoords000
result000
rings0.790.000.80
sdf.subset000
sdf.visualize0.010.000.02
sdf2ap0.290.030.31
sdf2list0.010.000.02
sdf2smiles000
sdf2str0.030.000.03
sdfStream0.020.000.02
sdfid0.020.000.02
sdfsample0.030.000.03
sdfstr2list0.830.171.00
searchSim000
searchString000
selectInBatches000
setPriorities000
smartsSearchOB000
smiles2sdf000
smisample000
status000
toolDetails000
trimNeighbors1.210.001.21
validSDF0.010.000.01
view0.050.020.06
write.SDF0.140.000.15
write.SDFsplit0.020.000.01
write.SMI000