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This page was generated on 2022-10-19 13:21:22 -0400 (Wed, 19 Oct 2022).

HostnameOSArch (*)R versionInstalled pkgs
nebbiolo1Linux (Ubuntu 20.04.5 LTS)x86_644.2.1 (2022-06-23) -- "Funny-Looking Kid" 4386
palomino3Windows Server 2022 Datacenterx644.2.1 (2022-06-23 ucrt) -- "Funny-Looking Kid" 4138
merida1macOS 10.14.6 Mojavex86_644.2.1 (2022-06-23) -- "Funny-Looking Kid" 4205
Click on any hostname to see more info about the system (e.g. compilers)      (*) as reported by 'uname -p', except on Windows and Mac OS X

CHECK results for DeepPINCS on palomino3


To the developers/maintainers of the DeepPINCS package:
- Please allow up to 24 hours (and sometimes 48 hours) for your latest push to git@git.bioconductor.org:packages/DeepPINCS.git to
reflect on this report. See How and When does the builder pull? When will my changes propagate? for more information.
- Make sure to use the following settings in order to reproduce any error or warning you see on this page.

raw results

Package 489/2140HostnameOS / ArchINSTALLBUILDCHECKBUILD BIN
DeepPINCS 1.4.0  (landing page)
Dongmin Jung
Snapshot Date: 2022-10-18 13:55:19 -0400 (Tue, 18 Oct 2022)
git_url: https://git.bioconductor.org/packages/DeepPINCS
git_branch: RELEASE_3_15
git_last_commit: ebcac82
git_last_commit_date: 2022-04-26 12:15:27 -0400 (Tue, 26 Apr 2022)
nebbiolo1Linux (Ubuntu 20.04.5 LTS) / x86_64  OK    OK    OK  UNNEEDED, same version is already published
palomino3Windows Server 2022 Datacenter / x64  OK    OK    OK    OK  UNNEEDED, same version is already published
merida1macOS 10.14.6 Mojave / x86_64  OK    OK    OK    OK  UNNEEDED, same version is already published

Summary

Package: DeepPINCS
Version: 1.4.0
Command: F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD check --no-multiarch --install=check:DeepPINCS.install-out.txt --library=F:\biocbuild\bbs-3.15-bioc\R\library --no-vignettes --timings DeepPINCS_1.4.0.tar.gz
StartedAt: 2022-10-18 23:30:22 -0400 (Tue, 18 Oct 2022)
EndedAt: 2022-10-18 23:34:27 -0400 (Tue, 18 Oct 2022)
EllapsedTime: 244.9 seconds
RetCode: 0
Status:   OK  
CheckDir: DeepPINCS.Rcheck
Warnings: 0

Command output

##############################################################################
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###
### Running command:
###
###   F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD check --no-multiarch --install=check:DeepPINCS.install-out.txt --library=F:\biocbuild\bbs-3.15-bioc\R\library --no-vignettes --timings DeepPINCS_1.4.0.tar.gz
###
##############################################################################
##############################################################################


* using log directory 'F:/biocbuild/bbs-3.15-bioc/meat/DeepPINCS.Rcheck'
* using R version 4.2.1 (2022-06-23 ucrt)
* using platform: x86_64-w64-mingw32 (64-bit)
* using session charset: UTF-8
* using option '--no-vignettes'
* checking for file 'DeepPINCS/DESCRIPTION' ... OK
* checking extension type ... Package
* this is package 'DeepPINCS' version '1.4.0'
* 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 whether package 'DeepPINCS' 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
fit_cpi: no visible binding for global variable 'compound'
fit_cpi: no visible binding for global variable 'compound_args'
fit_cpi: no visible binding for global variable 'protein'
fit_cpi: no visible binding for global variable 'protein_args'
fit_cpi: no visible binding for global variable 'max_atoms'
gcn_in_out : initialize: no visible global function definition for
  'super'
gcn_in_out : call: no visible binding for global variable 'self'
gcn_in_out : <anonymous>: no visible binding for global variable 'self'
gcn_in_out: no visible binding for global variable 'temp_units'
multiple_sampling_generator : <anonymous>: no visible binding for
  global variable 'batch_start'
Undefined global functions or variables:
  batch_start compound compound_args max_atoms protein protein_args
  self super temp_units
* 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 LazyData ... OK
* checking data for ASCII and uncompressed saves ... OK
* checking files in 'vignettes' ... OK
* checking examples ... OK
Examples with CPU (user + system) or elapsed time > 5s
           user system elapsed
cpi_model 14.62   2.53   40.75
* checking for unstated dependencies in 'tests' ... OK
* checking tests ...
  Running 'testthat.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: 1 NOTE
See
  'F:/biocbuild/bbs-3.15-bioc/meat/DeepPINCS.Rcheck/00check.log'
for details.



Installation output

DeepPINCS.Rcheck/00install.out

##############################################################################
##############################################################################
###
### Running command:
###
###   F:\biocbuild\bbs-3.15-bioc\R\bin\R.exe CMD INSTALL DeepPINCS
###
##############################################################################
##############################################################################


* installing to library 'F:/biocbuild/bbs-3.15-bioc/R/library'
* installing *source* package 'DeepPINCS' ...
** using staged installation
** R
** data
*** moving datasets to lazyload DB
** byte-compile and prepare package for lazy loading
** help
*** installing help indices
** building package indices
** installing vignettes
** testing if installed package can be loaded from temporary location
** testing if installed package can be loaded from final location
** testing if installed package keeps a record of temporary installation path
* DONE (DeepPINCS)

Tests output

DeepPINCS.Rcheck/tests/testthat.Rout


R version 4.2.1 (2022-06-23 ucrt) -- "Funny-Looking Kid"
Copyright (C) 2022 The R Foundation for Statistical Computing
Platform: x86_64-w64-mingw32/x64 (64-bit)

R is free software and comes with ABSOLUTELY NO WARRANTY.
You are welcome to redistribute it under certain conditions.
Type 'license()' or 'licence()' for distribution details.

R is a collaborative project with many contributors.
Type 'contributors()' for more information and
'citation()' on how to cite R or R packages in publications.

Type 'demo()' for some demos, 'help()' for on-line help, or
'help.start()' for an HTML browser interface to help.
Type 'q()' to quit R.

> library(testthat)
> library(DeepPINCS)
Loading required package: keras
> 
> test_check("DeepPINCS")
2022-10-18 23:32:52.469655: W tensorflow/stream_executor/platform/default/dso_loader.cc:64] Could not load dynamic library 'cudart64_110.dll'; dlerror: cudart64_110.dll not found
2022-10-18 23:32:52.469709: I tensorflow/stream_executor/cuda/cudart_stub.cc:29] Ignore above cudart dlerror if you do not have a GPU set up on your machine.
2022-10-18 23:33:06.846639: W tensorflow/stream_executor/platform/default/dso_loader.cc:64] Could not load dynamic library 'nvcuda.dll'; dlerror: nvcuda.dll not found
2022-10-18 23:33:06.846688: W tensorflow/stream_executor/cuda/cuda_driver.cc:269] failed call to cuInit: UNKNOWN ERROR (303)
2022-10-18 23:33:06.853005: I tensorflow/stream_executor/cuda/cuda_diagnostics.cc:169] retrieving CUDA diagnostic information for host: palomino3
2022-10-18 23:33:06.853178: I tensorflow/stream_executor/cuda/cuda_diagnostics.cc:176] hostname: palomino3
2022-10-18 23:33:06.853631: I tensorflow/core/platform/cpu_feature_guard.cc:151] This TensorFlow binary is optimized with oneAPI Deep Neural Network Library (oneDNN) to use the following CPU instructions in performance-critical operations:  AVX AVX2
To enable them in other operations, rebuild TensorFlow with the appropriate compiler flags.

1/7 [===>..........................] - ETA: 5s - loss: 0.6866 - accuracy: 0.5625
7/7 [==============================] - 1s 68ms/step - loss: 0.6853 - accuracy: 0.5200 - val_loss: 0.6924 - val_accuracy: 0.4800

1/7 [===>..........................] - ETA: 6s - loss: 0.6921 - accuracy: 0.5625
7/7 [==============================] - 1s 60ms/step - loss: 0.6951 - accuracy: 0.4800 - val_loss: 0.6904 - val_accuracy: 0.5200

1/7 [===>..........................] - ETA: 7s - loss: 0.6906 - accuracy: 0.6250
7/7 [==============================] - 2s 49ms/step - loss: 0.6900 - accuracy: 0.5100 - val_loss: 0.6884 - val_accuracy: 0.5300
[ FAIL 0 | WARN 11 | SKIP 0 | PASS 11 ]

[ FAIL 0 | WARN 11 | SKIP 0 | PASS 11 ]
> 
> proc.time()
   user  system elapsed 
  84.56   10.04   88.15 

Example timings

DeepPINCS.Rcheck/DeepPINCS-Ex.timings

nameusersystemelapsed
cpi_model14.62 2.5340.75
encoder_in_out0.220.020.23
get_canonical_smiles0.000.010.02
get_fingerprint0.510.050.65
get_graph_structure_node_feature0.080.020.09
get_seq_encode_pad0.030.000.03
metric_concordance_index2.870.433.14
metric_f1_score3.410.693.01
multiple_sampling_generator0.030.000.03
seq_check0.020.000.01
seq_preprocessing0.040.010.07