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authorJohannes Ranke <jranke@uni-bremen.de>2021-11-18 23:03:16 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2021-11-18 23:03:16 +0100
commitae755fbb06c3dda0740e9bb9323fbdfe3f2788a4 (patch)
tree83775c62311c2b9dde8d5e9b4283cfd03b2d2b60 /DESCRIPTION
parent898d598bcbb022ac767e0105e868798130f2c74c (diff)
Use reticulate instead of PythonInR, alanwood has moved
Because the pesticide compendium at alanwood.net has moved to bcpc.org, we need to depend on a development branch of webchem at the moment.
Diffstat (limited to 'DESCRIPTION')
-rw-r--r--DESCRIPTION10
1 files changed, 5 insertions, 5 deletions
diff --git a/DESCRIPTION b/DESCRIPTION
index a00e9a4..041999c 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,13 +1,13 @@
Package: chents
Type: Package
Title: Chemical Entities as R Objects
-Version: 0.2-9
-Date: 2020-10-13
+Version: 0.3.1
+Date: 2021-11-18
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "jranke@uni-bremen.de"))
Description: Utilities for dealing with chemical entities and associated
data as R objects. If Python and RDKit (> 2015.03) are installed and
- configured for use with 'PythonInR', some basic chemoinformatics functions
+ configured for use with 'reticulate', some basic chemoinformatics functions
like the calculation of molecular weight and plotting of chemical
structures in R graphics are available. For plotting, you need
grConvert (https://sjp.co.nz/projects/grconvert) which is not on CRAN.
@@ -20,7 +20,7 @@ Imports:
Suggests:
knitr,
testthat,
- PythonInR,
+ reticulate,
covr,
devEMF
License: GPL
@@ -28,4 +28,4 @@ LazyLoad: yes
LazyData: yes
Encoding: UTF-8
URL: https://github.com/jranke/chents
-RoxygenNote: 7.1.1.9000
+RoxygenNote: 7.1.2

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