Guenter Klambauer
| Snapshot Date: 2018-10-15 16:45:08 -0400 (Mon, 15 Oct 2018) |
| URL: https://git.bioconductor.org/packages/Rchemcpp |
| Branch: RELEASE_3_7 |
| Last Commit: a9c05cb |
| Last Changed Date: 2018-04-30 10:35:30 -0400 (Mon, 30 Apr 2018) |
| Back to Multiple platform build/check report for BioC 3.7 |
|
This page was generated on 2018-10-17 08:51:49 -0400 (Wed, 17 Oct 2018).
| Package 1197/1561 | Hostname | OS / Arch | INSTALL | BUILD | CHECK | BUILD BIN | ||||||
| Rchemcpp 2.18.0 Guenter Klambauer
| malbec2 | Linux (Ubuntu 16.04.1 LTS) / x86_64 | OK | OK | OK | | ||||||
| tokay2 | Windows Server 2012 R2 Standard / x64 | OK | OK | OK | OK | | ||||||
| merida2 | OS X 10.11.6 El Capitan / x86_64 | OK | OK | [ OK ] | OK | |
| Package: Rchemcpp |
| Version: 2.18.0 |
| Command: /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD check --install=check:Rchemcpp.install-out.txt --library=/Library/Frameworks/R.framework/Versions/Current/Resources/library --no-vignettes --timings Rchemcpp_2.18.0.tar.gz |
| StartedAt: 2018-10-16 23:33:15 -0400 (Tue, 16 Oct 2018) |
| EndedAt: 2018-10-16 23:34:12 -0400 (Tue, 16 Oct 2018) |
| EllapsedTime: 57.2 seconds |
| RetCode: 0 |
| Status: OK |
| CheckDir: Rchemcpp.Rcheck |
| Warnings: 0 |
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### Running command:
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### /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD check --install=check:Rchemcpp.install-out.txt --library=/Library/Frameworks/R.framework/Versions/Current/Resources/library --no-vignettes --timings Rchemcpp_2.18.0.tar.gz
###
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* using log directory ‘/Users/biocbuild/bbs-3.7-bioc/meat/Rchemcpp.Rcheck’
* using R version 3.5.1 Patched (2018-07-12 r74967)
* using platform: x86_64-apple-darwin15.6.0 (64-bit)
* using session charset: UTF-8
* using option ‘--no-vignettes’
* checking for file ‘Rchemcpp/DESCRIPTION’ ... OK
* checking extension type ... Package
* this is package ‘Rchemcpp’ version ‘2.18.0’
* 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 for sufficient/correct file permissions ... OK
* checking whether package ‘Rchemcpp’ can be installed ... OK
* checking installed package size ... OK
* checking package directory ... OK
* checking ‘build’ directory ... OK
* checking DESCRIPTION meta-information ... OK
* 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
* 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 ... OK
* checking S3 generic/method consistency ... OK
* checking replacement functions ... OK
* checking foreign function calls ... OK
* checking R code for possible problems ... NOTE
plotStruc: no visible global function definition for ‘lines’
plotStruc: no visible global function definition for ‘points’
plotStruc: no visible global function definition for ‘text’
plot,SDFset: no visible global function definition for ‘par’
Undefined global functions or variables:
lines par points text
Consider adding
importFrom("graphics", "lines", "par", "points", "text")
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 line endings in shell scripts ... 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 include directives in Makefiles ... OK
* checking compiled code ... NOTE
Note: information on .o files is not available
File ‘/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rchemcpp/libs/libchemcpp.so’:
Found ‘__ZNSt3__14cerrE’, possibly from ‘std::cerr’ (C++)
Found ‘__ZNSt3__14coutE’, possibly from ‘std::cout’ (C++)
Found ‘_exit’, possibly from ‘exit’ (C)
Compiled code should not call entry points which might terminate R nor
write to stdout/stderr instead of to the console, nor use Fortran I/O
nor system RNGs. 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 sizes of PDF files under ‘inst/doc’ ... OK
* checking files in ‘vignettes’ ... OK
* checking examples ... 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: 3 NOTEs
See
‘/Users/biocbuild/bbs-3.7-bioc/meat/Rchemcpp.Rcheck/00check.log’
for details.
Rchemcpp.Rcheck/00install.out
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### Running command:
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### /Library/Frameworks/R.framework/Versions/Current/Resources/bin/R CMD INSTALL Rchemcpp
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* installing to library ‘/Library/Frameworks/R.framework/Versions/3.5/Resources/library’
* installing *source* package ‘Rchemcpp’ ...
** libs
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o constant.o constant.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o node.o node.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o atom.o atom.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o bond.o bond.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o cerror.o cerror.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o chemcpp.o chemcpp.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o datacontainer.o datacontainer.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o descriptor.o descriptor.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o elements.o elements.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o jlpioutils.o jlpioutils.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o kcfmolecule.o kcfmolecule.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o molecule.o molecule.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o moleculeset.o moleculeset.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o moleculeutils.o moleculeutils.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o ring.o ring.cpp
clang++ -Wall -g -O2 -w -fPIC -I../src/ -c -o stringutils.o stringutils.cpp
clang++ -shared -o ../../libchemcpp.dll -Wall -g -O2 -w -fPIC -I../src/ constant.o node.o atom.o bond.o cerror.o chemcpp.o datacontainer.o descriptor.o elements.o jlpioutils.o kcfmolecule.o molecule.o moleculeset.o moleculeutils.o ring.o stringutils.o
clang++ -dynamiclib -o ../../libchemcpp.so -Wall -g -O2 -w -fPIC -I../src/ constant.o node.o atom.o bond.o cerror.o chemcpp.o datacontainer.o descriptor.o elements.o jlpioutils.o kcfmolecule.o molecule.o moleculeset.o moleculeutils.o ring.o stringutils.o -Wl,-install_name -Wl,@loader_path/libchemcpp.so
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c Relements.cpp -o Relements.o
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c Rmolecule.cpp -o Rmolecule.o
In file included from Rmolecule.cpp:2:
./Rmolecule.h:14:7: warning: 'Rmolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
void addAtom(string aSymbol)
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
1 warning generated.
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c Rmoleculeset.cpp -o Rmoleculeset.o
In file included from Rmoleculeset.cpp:2:
In file included from ./Rmoleculeset.h:8:
./Rmolecule.h:14:7: warning: 'Rmolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
void addAtom(string aSymbol)
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
In file included from Rmoleculeset.cpp:2:
In file included from ./Rmoleculeset.h:10:
In file included from ./chemcpp/src/moleculeset.h:39:
./chemcpp/src/kcfmolecule.h:61:16: warning: 'KCFMolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
virtual Atom* addAtom(string aSymbol) throw( CError );
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
2 warnings generated.
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c spectrum3Dhelper.cpp -o spectrum3Dhelper.o
In file included from spectrum3Dhelper.cpp:32:
In file included from ./spectrum3Dhelper.h:38:
In file included from ./Rmoleculeset.h:8:
./Rmolecule.h:14:7: warning: 'Rmolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
void addAtom(string aSymbol)
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
In file included from spectrum3Dhelper.cpp:32:
In file included from ./spectrum3Dhelper.h:38:
In file included from ./Rmoleculeset.h:10:
In file included from ./chemcpp/src/moleculeset.h:39:
./chemcpp/src/kcfmolecule.h:61:16: warning: 'KCFMolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
virtual Atom* addAtom(string aSymbol) throw( CError );
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
2 warnings generated.
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c spectrumhelper.cpp -o spectrumhelper.o
In file included from spectrumhelper.cpp:32:
In file included from ./spectrumhelper.h:38:
In file included from ./Rmoleculeset.h:8:
./Rmolecule.h:14:7: warning: 'Rmolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
void addAtom(string aSymbol)
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
In file included from spectrumhelper.cpp:32:
In file included from ./spectrumhelper.h:38:
In file included from ./Rmoleculeset.h:10:
In file included from ./chemcpp/src/moleculeset.h:39:
./chemcpp/src/kcfmolecule.h:61:16: warning: 'KCFMolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
virtual Atom* addAtom(string aSymbol) throw( CError );
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
2 warnings generated.
clang++ -I"/Library/Frameworks/R.framework/Resources/include" -DNDEBUG -I./chemcpp/src -I"/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rcpp/include" -I/usr/local/include -fPIC -Wall -g -O2 -c subtreehelper.cpp -o subtreehelper.o
In file included from subtreehelper.cpp:32:
In file included from ./subtreehelper.h:37:
In file included from ./Rmoleculeset.h:8:
./Rmolecule.h:14:7: warning: 'Rmolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
void addAtom(string aSymbol)
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
In file included from subtreehelper.cpp:32:
In file included from ./subtreehelper.h:37:
In file included from ./Rmoleculeset.h:10:
In file included from ./chemcpp/src/moleculeset.h:39:
./chemcpp/src/kcfmolecule.h:61:16: warning: 'KCFMolecule::addAtom' hides overloaded virtual function [-Woverloaded-virtual]
virtual Atom* addAtom(string aSymbol) throw( CError );
^
./chemcpp/src/molecule.h:133:16: note: hidden overloaded virtual function 'Molecule::addAtom' declared here: different number of parameters (2 vs 1)
virtual Atom* addAtom( string aSymbol, bool resetSSSR = true ) throw( CError );
^
subtreehelper.cpp:59:6: warning: unused variable 'depth' [-Wunused-variable]
int depth = -1;
^
subtreehelper.cpp:138:6: warning: unused variable 'depth' [-Wunused-variable]
int depth = -1;
^
4 warnings generated.
clang++ -dynamiclib -Wl,-headerpad_max_install_names -undefined dynamic_lookup -single_module -multiply_defined suppress -L/Library/Frameworks/R.framework/Resources/lib -L/usr/local/lib -o Rchemcpp.so Relements.o Rmolecule.o Rmoleculeset.o spectrum3Dhelper.o spectrumhelper.o subtreehelper.o -L./ -lchemcpp -Wl,-rpath,/Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rchemcpp/libs -F/Library/Frameworks/R.framework/.. -framework R -Wl,-framework -Wl,CoreFoundation
installing to /Library/Frameworks/R.framework/Versions/3.5/Resources/library/Rchemcpp/libs
** R
** inst
** byte-compile and prepare package for lazy loading
in method for ‘length’ with signature ‘"Rcpp_Rmoleculeset"’: no definition for class “Rcpp_Rmoleculeset”
** help
*** installing help indices
** building package indices
** installing vignettes
** testing if installed package can be loaded
* DONE (Rchemcpp)
Rchemcpp.Rcheck/Rchemcpp-Ex.timings
| name | user | system | elapsed | |
| Rchemcpp-package | 2.043 | 0.067 | 2.144 | |
| Rcpp_Rmolecule-class | 0.003 | 0.000 | 0.003 | |
| Rcpp_Rmoleculeset-class | 0.004 | 0.001 | 0.005 | |
| createRMolecule | 0.003 | 0.000 | 0.003 | |
| getMoleculeNamesFromSDF | 0.006 | 0.000 | 0.005 | |
| getMoleculePropertyFromSDF | 0.003 | 0.000 | 0.003 | |
| sd2gram | 0.664 | 0.010 | 0.678 | |
| sd2gram3Dpharma | 0.727 | 0.016 | 0.750 | |
| sd2gram3Dspectrum | 0.209 | 0.004 | 0.213 | |
| sd2gramSpectrum | 0.031 | 0.002 | 0.035 | |
| sd2gramSubtree | 0.299 | 0.015 | 0.315 | |