* using log directory 'd:/Rcompile/CRANpkg/local/3.5/httk.Rcheck' * using R version 3.5.3 (2019-03-11) * using platform: x86_64-w64-mingw32 (64-bit) * using session charset: ISO8859-1 * checking for file 'httk/DESCRIPTION' ... OK * this is package 'httk' version '2.0.1' * package encoding: UTF-8 * 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 'httk' can be installed ... OK * checking installed package size ... NOTE installed size is 11.9Mb sub-directories of 1Mb or more: data 8.3Mb doc 2.1Mb * 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 * 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 ** checking loading without being on the library search path ... OK ** checking use of S3 registration ... 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 loading without being on the library search path ... OK ** checking use of S3 registration ... 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 ... [23s] OK * 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 R/sysdata.rda ... OK * checking line endings in C/C++/Fortran sources/headers ... OK * checking pragmas in C/C++ headers and code ... OK * checking compiled code ... OK * checking installed files from 'inst/doc' ... OK * checking files in 'vignettes' ... OK * checking examples ... ** running examples for arch 'i386' ... [23s] OK ** running examples for arch 'x64' ... [23s] OK * checking for unstated dependencies in 'tests' ... OK * checking tests ... ** running tests for arch 'i386' ... [105s] OK Running '1comp_test.R' [7s] Comparing '1comp_test.Rout' to '1comp_test.Rout.save' ... OK Running '3comp_test.R' [4s] Comparing '3comp_test.Rout' to '3comp_test.Rout.save' ... OK Running '3compss_test.R' [3s] Comparing '3compss_test.Rout' to '3compss_test.Rout.save' ... OK Running 'adddata_test.R' [25s] Comparing 'adddata_test.Rout' to 'adddata_test.Rout.save' ... OK Running 'cheminfo_test.R' [4s] Comparing 'cheminfo_test.Rout' to 'cheminfo_test.Rout.save' ... OK Running 'httk2.0_test.R' [12s] Comparing 'httk2.0_test.Rout' to 'httk2.0_test.Rout.save' ... OK Running 'ivive_test.R' [3s] Comparing 'ivive_test.Rout' to 'ivive_test.Rout.save' ... OK Running 'montecarlo_tests.R' [14s] Comparing 'montecarlo_tests.Rout' to 'montecarlo_tests.Rout.save' ...37c37 < 69.71 --- > 167.4 43c43 < 1.712 --- > 10.09 50c50 < 6.762 --- > 37.07 56c56 < 0.3565 --- > 2.315 67c67 < 0.3571 --- > 2.316 73c73 < 0.3565 --- > 2.315 78c78 < 0.2231 --- > 1.472 88c88 < 398.1 --- > 177 104c104 < 241.1 --- > 120.7 116c116 < 20.83 --- > 24.49 145,155c145,155 < [1,] 0.00 3.058e+02 0.000 0.000 0.00000 0.0000 0.00000 0.0000 0.000 0.0000 < [2,] 0.25 6.381e-04 7.567 9.938 0.49760 4.1850 0.49780 3.3630 11.580 0.6374 < [3,] 0.50 1.000e-09 6.632 8.721 0.43690 3.6700 0.43700 2.9570 10.160 0.5607 < [4,] 0.75 0.000e+00 5.867 7.737 0.38690 3.2470 0.38700 2.6190 8.989 0.4976 < [5,] 1.00 0.000e+00 5.227 6.909 0.34510 2.8920 0.34520 2.3350 8.011 0.4446 < [6,] 1.50 0.000e+00 4.220 5.603 0.27930 2.3350 0.27940 1.8880 6.473 0.3609 < [7,] 2.00 0.000e+00 3.469 4.624 0.23020 1.9190 0.23020 1.5540 5.325 0.2982 < [8,] 2.50 0.000e+00 2.890 3.864 0.19220 1.5990 0.19220 1.2950 4.438 0.2494 < [9,] 3.00 0.000e+00 2.432 3.260 0.16200 1.3450 0.16200 1.0900 3.736 0.2105 < [10,] 4.00 0.000e+00 1.757 2.364 0.11730 0.9718 0.11730 0.7880 2.701 0.1527 < [11,] 5.00 0.000e+00 1.293 1.743 0.08641 0.7152 0.08641 0.5798 1.988 0.1126 --- > [1,] 0.00 3.137e+02 0.000 0.000 0.0000 0.000 0.0000 0.000 0.000 0.0000 > [2,] 0.25 6.546e-04 7.860 11.080 0.6816 4.274 0.6819 3.596 12.340 0.9515 > [3,] 0.50 1.000e-09 7.182 10.120 0.6311 3.907 0.6312 3.306 11.320 0.8853 > [4,] 0.75 0.000e+00 6.607 9.356 0.5865 3.589 0.5866 3.044 10.430 0.8266 > [5,] 1.00 0.000e+00 6.092 8.670 0.5464 3.304 0.5465 2.810 9.638 0.7735 > [6,] 1.50 0.000e+00 5.214 7.498 0.4775 2.818 0.4776 2.410 8.282 0.6822 > [7,] 2.00 0.000e+00 4.503 6.542 0.4212 2.426 0.4212 2.085 7.180 0.6072 > [8,] 2.50 0.000e+00 3.922 5.756 0.3748 2.106 0.3748 1.820 6.279 0.5451 > [9,] 3.00 0.000e+00 3.444 5.105 0.3363 1.843 0.3364 1.602 5.535 0.4933 > [10,] 4.00 0.000e+00 2.717 4.107 0.2771 1.444 0.2771 1.269 4.404 0.4132 > [11,] 5.00 0.000e+00 2.204 3.393 0.2346 1.163 0.2346 1.034 3.601 0.3550 157,167c157,167 < [1,] 0.0000 0.00 0.0000 < [2,] 0.6732 61.74 0.1928 < [3,] 1.1920 85.51 0.3423 < [4,] 1.6530 106.00 0.4743 < [5,] 2.0650 123.80 0.5919 < [6,] 2.7690 153.30 0.7921 < [7,] 3.3460 176.50 0.9563 < [8,] 3.8270 195.30 1.0930 < [9,] 4.2300 210.60 1.2070 < [10,] 4.8620 234.00 1.3870 < [11,] 5.3240 250.70 1.5190 --- > [1,] 0.000 0.00 0.0000 > [2,] 0.611 54.89 0.2634 > [3,] 1.099 74.89 0.4927 > [4,] 1.545 92.82 0.7066 > [5,] 1.954 108.90 0.9064 > [6,] 2.675 136.60 1.2700 > [7,] 3.289 159.20 1.5910 > [8,] 3.815 177.80 1.8790 > [9,] 4.270 193.30 2.1380 > [10,] 5.014 217.20 2.5890 > [11,] 5.596 234.40 2.9720 171,181c171,181 < [1,] 0 1.677e+01 0.0000 0.0000 0.00000 0.0000 0.00000 0.00000 0.0000 < [2,] 0 3.497e-05 0.2327 0.3823 0.02040 0.1390 0.02040 0.06033 0.3433 < [3,] 0 0.000e+00 0.2663 0.4193 0.02210 0.1563 0.02207 0.08433 0.3997 < [4,] 0 0.000e+00 0.3040 0.4657 0.02403 0.1760 0.02400 0.10730 0.4590 < [5,] 0 0.000e+00 0.3393 0.5080 0.02587 0.1940 0.02587 0.12800 0.5147 < [6,] 0 0.000e+00 0.3943 0.5723 0.02877 0.2227 0.02877 0.16000 0.6020 < [7,] 0 0.000e+00 0.4257 0.6067 0.03030 0.2387 0.03027 0.17930 0.6523 < [8,] 0 0.000e+00 0.4360 0.6133 0.03057 0.2437 0.03053 0.18730 0.6693 < [9,] 0 0.000e+00 0.4303 0.6000 0.02982 0.2395 0.02981 0.18700 0.6607 < [10,] 0 0.000e+00 0.3875 0.5345 0.02651 0.2152 0.02650 0.17080 0.5959 < [11,] 0 0.000e+00 0.3278 0.4490 0.02225 0.1818 0.02224 0.14540 0.5041 --- > [1,] 0 1.853e+01 0.0000 0.0000 0.00000 0.0000 0.00000 0.0000 0.0000 > [2,] 0 3.867e-05 0.4033 0.3533 0.05177 0.2787 0.05180 0.1030 0.4133 > [3,] 0 0.000e+00 0.4433 0.3533 0.04503 0.3030 0.04503 0.1347 0.4900 > [4,] 0 0.000e+00 0.4870 0.4147 0.03880 0.3250 0.03880 0.1573 0.5633 > [5,] 0 0.000e+00 0.5180 0.4567 0.03360 0.3407 0.03360 0.1743 0.6173 > [6,] 0 0.000e+00 0.5517 0.5077 0.02573 0.3560 0.02573 0.1947 0.6793 > [7,] 0 0.000e+00 0.5560 0.5207 0.02053 0.3550 0.02050 0.2017 0.6973 > [8,] 0 0.000e+00 0.5403 0.5080 0.01727 0.3433 0.01723 0.1987 0.6833 > [9,] 0 0.000e+00 0.5117 0.4783 0.01537 0.3247 0.01540 0.1893 0.6490 > [10,] 0 0.000e+00 0.4337 0.3900 0.01430 0.2763 0.01430 0.1607 0.5447 > [11,] 0 0.000e+00 0.3463 0.2887 0.01520 0.2240 0.01520 0.1263 0.4237 183,193c183,193 < [1,] 0.00000 0.000000 0.0000 0.000000 < [2,] 0.01850 0.001033 1.6970 0.006733 < [3,] 0.02217 0.003000 3.0300 0.011830 < [4,] 0.02593 0.000000 4.0670 0.017830 < [5,] 0.02930 0.009667 4.8000 0.024730 < [6,] 0.03450 0.043670 5.4670 0.040770 < [7,] 0.03750 0.091000 5.3000 0.058900 < [8,] 0.03847 0.146700 4.5000 0.078030 < [9,] 0.03793 0.205700 3.3670 0.096970 < [10,] 0.03411 0.322700 0.4667 0.133300 < [11,] 0.02879 0.428000 2.5670 0.165000 --- > [1,] 0.00000 0.00000 0.00000 0.00000 > [2,] 0.10860 0.04933 3.27300 0.02490 > [3,] 0.09853 0.09400 4.49700 0.05083 > [4,] 0.08923 0.14130 5.33700 0.07427 > [5,] 0.08127 0.19100 5.82700 0.09553 > [6,] 0.06877 0.29400 6.06700 0.13300 > [7,] 0.05990 0.39770 5.53300 0.16470 > [8,] 0.05370 0.49970 4.46700 0.19330 > [9,] 0.04943 0.59670 3.13300 0.21900 > [10,] 0.04493 0.77300 0.03333 0.26570 > [11,] 0.04347 0.92170 3.26700 0.31000 201c201 < 2.540005 --- > 0.2437241 Running 'other_tests.R' [23s] Comparing 'other_tests.Rout' to 'other_tests.Rout.save' ... OK Running 'pbtk_test.R' [4s] Comparing 'pbtk_test.Rout' to 'pbtk_test.Rout.save' ... OK Running 'solve_gas_crude_test.R' [4s] Comparing 'solve_gas_crude_test.Rout' to 'solve_gas_crude_test.Rout.save' ... OK ** running tests for arch 'x64' ... [107s] OK Running '1comp_test.R' [7s] Comparing '1comp_test.Rout' to '1comp_test.Rout.save' ... OK Running '3comp_test.R' [4s] Comparing '3comp_test.Rout' to '3comp_test.Rout.save' ... OK Running '3compss_test.R' [4s] Comparing '3compss_test.Rout' to '3compss_test.Rout.save' ... OK Running 'adddata_test.R' [29s] Comparing 'adddata_test.Rout' to 'adddata_test.Rout.save' ... OK Running 'cheminfo_test.R' [4s] Comparing 'cheminfo_test.Rout' to 'cheminfo_test.Rout.save' ... OK Running 'httk2.0_test.R' [11s] Comparing 'httk2.0_test.Rout' to 'httk2.0_test.Rout.save' ... OK Running 'ivive_test.R' [3s] Comparing 'ivive_test.Rout' to 'ivive_test.Rout.save' ... OK Running 'montecarlo_tests.R' [15s] Comparing 'montecarlo_tests.Rout' to 'montecarlo_tests.Rout.save' ...37c37 < 69.71 --- > 167.4 43c43 < 1.712 --- > 10.09 50c50 < 6.762 --- > 37.07 56c56 < 0.3565 --- > 2.315 67c67 < 0.3571 --- > 2.316 73c73 < 0.3565 --- > 2.315 78c78 < 0.2231 --- > 1.472 88c88 < 398.1 --- > 177 104c104 < 241.1 --- > 120.7 116c116 < 20.83 --- > 24.49 145,155c145,155 < [1,] 0.00 3.058e+02 0.000 0.000 0.00000 0.0000 0.00000 0.0000 0.000 0.0000 < [2,] 0.25 6.381e-04 7.567 9.938 0.49760 4.1850 0.49780 3.3630 11.580 0.6374 < [3,] 0.50 1.000e-09 6.632 8.721 0.43690 3.6700 0.43700 2.9570 10.160 0.5607 < [4,] 0.75 0.000e+00 5.867 7.737 0.38690 3.2470 0.38700 2.6190 8.989 0.4976 < [5,] 1.00 0.000e+00 5.227 6.909 0.34510 2.8920 0.34520 2.3350 8.011 0.4446 < [6,] 1.50 0.000e+00 4.220 5.603 0.27930 2.3350 0.27940 1.8880 6.473 0.3609 < [7,] 2.00 0.000e+00 3.469 4.624 0.23020 1.9190 0.23020 1.5540 5.325 0.2982 < [8,] 2.50 0.000e+00 2.890 3.864 0.19220 1.5990 0.19220 1.2950 4.438 0.2494 < [9,] 3.00 0.000e+00 2.432 3.260 0.16200 1.3450 0.16200 1.0900 3.736 0.2105 < [10,] 4.00 0.000e+00 1.757 2.364 0.11730 0.9718 0.11730 0.7880 2.701 0.1527 < [11,] 5.00 0.000e+00 1.293 1.743 0.08641 0.7152 0.08641 0.5798 1.988 0.1126 --- > [1,] 0.00 3.137e+02 0.000 0.000 0.0000 0.000 0.0000 0.000 0.000 0.0000 > [2,] 0.25 6.546e-04 7.860 11.080 0.6816 4.274 0.6819 3.596 12.340 0.9515 > [3,] 0.50 1.000e-09 7.182 10.120 0.6311 3.907 0.6312 3.306 11.320 0.8853 > [4,] 0.75 0.000e+00 6.607 9.356 0.5865 3.589 0.5866 3.044 10.430 0.8266 > [5,] 1.00 0.000e+00 6.092 8.670 0.5464 3.304 0.5465 2.810 9.638 0.7735 > [6,] 1.50 0.000e+00 5.214 7.498 0.4775 2.818 0.4776 2.410 8.282 0.6822 > [7,] 2.00 0.000e+00 4.503 6.542 0.4212 2.426 0.4212 2.085 7.180 0.6072 > [8,] 2.50 0.000e+00 3.922 5.756 0.3748 2.106 0.3748 1.820 6.279 0.5451 > [9,] 3.00 0.000e+00 3.444 5.105 0.3363 1.843 0.3364 1.602 5.535 0.4933 > [10,] 4.00 0.000e+00 2.717 4.107 0.2771 1.444 0.2771 1.269 4.404 0.4132 > [11,] 5.00 0.000e+00 2.204 3.393 0.2346 1.163 0.2346 1.034 3.601 0.3550 157,167c157,167 < [1,] 0.0000 0.00 0.0000 < [2,] 0.6732 61.74 0.1928 < [3,] 1.1920 85.51 0.3423 < [4,] 1.6530 106.00 0.4743 < [5,] 2.0650 123.80 0.5919 < [6,] 2.7690 153.30 0.7921 < [7,] 3.3460 176.50 0.9563 < [8,] 3.8270 195.30 1.0930 < [9,] 4.2300 210.60 1.2070 < [10,] 4.8620 234.00 1.3870 < [11,] 5.3240 250.70 1.5190 --- > [1,] 0.000 0.00 0.0000 > [2,] 0.611 54.89 0.2634 > [3,] 1.099 74.89 0.4927 > [4,] 1.545 92.82 0.7066 > [5,] 1.954 108.90 0.9064 > [6,] 2.675 136.60 1.2700 > [7,] 3.289 159.20 1.5910 > [8,] 3.815 177.80 1.8790 > [9,] 4.270 193.30 2.1380 > [10,] 5.014 217.20 2.5890 > [11,] 5.596 234.40 2.9720 171,181c171,181 < [1,] 0 1.677e+01 0.0000 0.0000 0.00000 0.0000 0.00000 0.00000 0.0000 < [2,] 0 3.497e-05 0.2327 0.3823 0.02040 0.1390 0.02040 0.06033 0.3433 < [3,] 0 0.000e+00 0.2663 0.4193 0.02210 0.1563 0.02207 0.08433 0.3997 < [4,] 0 0.000e+00 0.3040 0.4657 0.02403 0.1760 0.02400 0.10730 0.4590 < [5,] 0 0.000e+00 0.3393 0.5080 0.02587 0.1940 0.02587 0.12800 0.5147 < [6,] 0 0.000e+00 0.3943 0.5723 0.02877 0.2227 0.02877 0.16000 0.6020 < [7,] 0 0.000e+00 0.4257 0.6067 0.03030 0.2387 0.03027 0.17930 0.6523 < [8,] 0 0.000e+00 0.4360 0.6133 0.03057 0.2437 0.03053 0.18730 0.6693 < [9,] 0 0.000e+00 0.4303 0.6000 0.02982 0.2395 0.02981 0.18700 0.6607 < [10,] 0 0.000e+00 0.3875 0.5345 0.02651 0.2152 0.02650 0.17080 0.5959 < [11,] 0 0.000e+00 0.3278 0.4490 0.02225 0.1818 0.02224 0.14540 0.5041 --- > [1,] 0 1.853e+01 0.0000 0.0000 0.00000 0.0000 0.00000 0.0000 0.0000 > [2,] 0 3.867e-05 0.4033 0.3533 0.05177 0.2787 0.05180 0.1030 0.4133 > [3,] 0 0.000e+00 0.4433 0.3533 0.04503 0.3030 0.04503 0.1347 0.4900 > [4,] 0 0.000e+00 0.4870 0.4147 0.03880 0.3250 0.03880 0.1573 0.5633 > [5,] 0 0.000e+00 0.5180 0.4567 0.03360 0.3407 0.03360 0.1743 0.6173 > [6,] 0 0.000e+00 0.5517 0.5077 0.02573 0.3560 0.02573 0.1947 0.6793 > [7,] 0 0.000e+00 0.5560 0.5207 0.02053 0.3550 0.02050 0.2017 0.6973 > [8,] 0 0.000e+00 0.5403 0.5080 0.01727 0.3433 0.01723 0.1987 0.6833 > [9,] 0 0.000e+00 0.5117 0.4783 0.01537 0.3247 0.01540 0.1893 0.6490 > [10,] 0 0.000e+00 0.4337 0.3900 0.01430 0.2763 0.01430 0.1607 0.5447 > [11,] 0 0.000e+00 0.3463 0.2887 0.01520 0.2240 0.01520 0.1263 0.4237 183,193c183,193 < [1,] 0.00000 0.000000 0.0000 0.000000 < [2,] 0.01850 0.001033 1.6970 0.006733 < [3,] 0.02217 0.003000 3.0300 0.011830 < [4,] 0.02593 0.000000 4.0670 0.017830 < [5,] 0.02930 0.009667 4.8000 0.024730 < [6,] 0.03450 0.043670 5.4670 0.040770 < [7,] 0.03750 0.091000 5.3000 0.058900 < [8,] 0.03847 0.146700 4.5000 0.078030 < [9,] 0.03793 0.205700 3.3670 0.096970 < [10,] 0.03411 0.322700 0.4667 0.133300 < [11,] 0.02879 0.428000 2.5670 0.165000 --- > [1,] 0.00000 0.00000 0.00000 0.00000 > [2,] 0.10860 0.04933 3.27300 0.02490 > [3,] 0.09853 0.09400 4.49700 0.05083 > [4,] 0.08923 0.14130 5.33700 0.07427 > [5,] 0.08127 0.19100 5.82700 0.09553 > [6,] 0.06877 0.29400 6.06700 0.13300 > [7,] 0.05990 0.39770 5.53300 0.16470 > [8,] 0.05370 0.49970 4.46700 0.19330 > [9,] 0.04943 0.59670 3.13300 0.21900 > [10,] 0.04493 0.77300 0.03333 0.26570 > [11,] 0.04347 0.92170 3.26700 0.31000 201c201 < 2.540005 --- > 0.2437241 Running 'other_tests.R' [20s] Comparing 'other_tests.Rout' to 'other_tests.Rout.save' ... OK Running 'pbtk_test.R' [4s] Comparing 'pbtk_test.Rout' to 'pbtk_test.Rout.save' ... OK Running 'solve_gas_crude_test.R' [4s] Comparing 'solve_gas_crude_test.Rout' to 'solve_gas_crude_test.Rout.save' ... OK * checking for unstated dependencies in vignettes ... OK * checking package vignettes in 'inst/doc' ... OK * checking re-building of vignette outputs ... [347s] OK * checking PDF version of manual ... OK * DONE Status: 1 NOTE