diff options
| -rw-r--r-- | .Rbuildignore | 2 | ||||
| -rw-r--r-- | .Rhistory | 21 | ||||
| -rw-r--r-- | .gitignore | 1 | ||||
| -rw-r--r-- | ChangeLog | 81 | ||||
| -rw-r--r-- | DESCRIPTION | 10 | ||||
| -rw-r--r-- | GNUmakefile | 6 | ||||
| -rw-r--r-- | build.log | 7 | ||||
| -rw-r--r-- | pfm.Rproj | 19 |
8 files changed, 136 insertions, 11 deletions
diff --git a/.Rbuildignore b/.Rbuildignore index 10e9266..4159cc9 100644 --- a/.Rbuildignore +++ b/.Rbuildignore @@ -10,3 +10,5 @@ ^_pkgdown.yml$ ^\.travis\.yml$ ^docs$ +^.*\.Rproj$ +^\.Rproj\.user$ diff --git a/.Rhistory b/.Rhistory new file mode 100644 index 0000000..cf5f28b --- /dev/null +++ b/.Rhistory @@ -0,0 +1,21 @@ +install.packages("chents") +library(chents) +atrazine <- pai.new("atrazine") +atra <- pai$new("atrazine") +atra +atra$mw +library(units) +as_unit("3 g/mol") +as_units(3, g/mol) +as_units(3, "g/mol") +cym <- pai$new("cymoxanil") +cym +py_install("rdkit") +reticulate::py_install("rdkit") +cym <- pai$new("cymoxanil") +library(reticulate) +py_install("rdkit") +rdkit <- py_import(rdkit) +rdkit <- import("rdkit") +rdkit +chent$new("isopropanol") @@ -4,3 +4,4 @@ pfm\.Rcheck test.R inst/extdata/Tabelle\ der\ Abdrifteckwerte.xls inst/extdata/FOCUS_Step_12_scenarios.txt +.Rproj.user @@ -1,3 +1,84 @@ +commit df4034c64aa3590c3911dca88b066332dc8e4df1 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 14:35:37 +0100 + + Simplify travis config + +commit f4e22fc28fa0b05b05c8a1277333777635802e86 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 13:46:24 +0100 + + Try to simplify drat configuration + +commit 6bc40dbd4e7c76179009a501ae168f0fa73f2be2 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 12:12:09 +0100 + + Disable bspm to make install from drat work + +commit 96b6f8954d4eb9ec5b8ee9209074d21fdd67f966 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 12:04:15 +0100 + + Fix last commit + +commit c9e9f1312e7b73c8596d2d01324fcb67c000f3e9 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 12:00:39 +0100 + + Install drat to use it... + +commit b0a7a94ac0a7070e8612e443b4aa485beb07b85d +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 11:57:20 +0100 + + Another attempt to make drat work on travis + +commit 854cc695a1f64a9b37957fdcd81c1ce23a6a2d69 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 11:52:53 +0100 + + Try to make drat work + +commit c463f9fb197f70f97831b3648bc398be8ff9ae7d +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 11:41:40 +0100 + + mkin was not pulled from the drat repo + +commit f3ba961b6be63d3995cccea2968d7b2fb907ca16 +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 11:35:27 +0100 + + Use drat instead of install_github + +commit 510416bc07eb7b3197c20d687f6c51a032cfbfec +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 11:12:59 +0100 + + Forgot to commit .travis.yml ... + +commit f21a53421dc481604c681c2be8438c8a8b5db23d +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 10:58:46 +0100 + + mkin and chents from github for check on travis + +commit e63dbdf1fdae0abc7246f721357504798309033d +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 10:52:07 +0100 + + Don't force suggested packages + +commit 60a217ecc9a035ab956bd4229da6ad4c654e7d6e +Author: Johannes Ranke <jranke@uni-bremen.de> +Date: 2022-11-11 10:37:13 +0100 + + Remove Remotes: field from DESCRIPTION + + It causes trouble with remotes::install_deps() on travis, see the + various previous build logs. + commit 3ef243d18b7972eb8cb4a561ac07d93b46df13a5 Author: Johannes Ranke <jranke@uni-bremen.de> Date: 2022-11-11 10:06:39 +0100 diff --git a/DESCRIPTION b/DESCRIPTION index 9543fdd..8d11e33 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,10 +1,10 @@ Package: pfm Type: Package Title: Utilities for Pesticide Fate Modelling -Version: 0.5.9 -Date: 2022-11-11 -Authors@R: person("Johannes Ranke", email = "jranke@uni-bremen.de", - role = c("aut", "cre", "cph"), +Version: 0.6.0 +Date: 2023-11-11 +Authors@R: person("Johannes Ranke", email = "johannes.ranke@agroscope.admin.ch", + role = c("aut", "cre"), comment = c(ORCID = "0000-0003-4371-6538")) Description: Utilities for simple calculations of predicted environmental concentrations ('PEC' values) and for dealing with data from some FOCUS @@ -27,4 +27,4 @@ LazyLoad: yes LazyData: yes Encoding: UTF-8 URL: https://pkgdown.jrwb.de/pfm -RoxygenNote: 7.2.1 +RoxygenNote: 7.2.3 diff --git a/GNUmakefile b/GNUmakefile index d993d27..fae80e3 100644 --- a/GNUmakefile +++ b/GNUmakefile @@ -7,8 +7,10 @@ DATE := $(shell date +%Y-%m-%d) .PHONEY: usage check clean -pkgfiles = DESCRIPTION \ +pkgfiles = \ .Rbuildignore \ + ChangeLog \ + DESCRIPTION \ data/* \ docs/* \ docs/reference/* \ @@ -23,7 +25,7 @@ clean: rm -fR pfm.Rcheck @echo "DONE." -roxygen: +roxygen: @echo "Roxygenizing package..." "$(R_HOME)/bin/Rscript" -e 'devtools::document()' @echo "DONE." @@ -3,14 +3,13 @@ * checking DESCRIPTION meta-information ... OK * checking for LF line-endings in source and make files and shell scripts * checking for empty or unneeded directories -Removed empty directory ‘pfm/inst/testdata/SwashProjects/Project_1/MACRO’ -Removed empty directory ‘pfm/inst/testdata/SwashProjects/Project_1’ -Removed empty directory ‘pfm/inst/testdata/SwashProjects’ NB: this package now depends on R (>= 3.5.0) WARNING: Added dependency on R >= 3.5.0 because serialized objects in serialize/load version 3 cannot be read in older versions of R. File(s) containing such objects: ‘pfm/data/EFSA_GW_interception_2014.RData’ ‘pfm/data/EFSA_washoff_2017.RData’ -* building ‘pfm_0.5.9.tar.gz’ +* building ‘pfm_0.6.0.tar.gz’ +Warning: invalid uid value replaced by that for user 'nobody' +Warning: invalid gid value replaced by that for user 'nobody' diff --git a/pfm.Rproj b/pfm.Rproj new file mode 100644 index 0000000..8de5cfd --- /dev/null +++ b/pfm.Rproj @@ -0,0 +1,19 @@ +Version: 1.0 + +RestoreWorkspace: Default +SaveWorkspace: Default +AlwaysSaveHistory: Default + +EnableCodeIndexing: Yes +UseSpacesForTab: Yes +NumSpacesForTab: 2 +Encoding: UTF-8 + +RnwWeave: Sweave +LaTeX: pdfLaTeX + +AutoAppendNewline: Yes + +BuildType: Package +PackageUseDevtools: Yes +PackageInstallArgs: --no-multiarch --with-keep.source |