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authorRanke Johannes <johannes.ranke@agroscope.admin.ch>2024-11-28 16:47:55 +0100
committerRanke Johannes <johannes.ranke@agroscope.admin.ch>2024-11-28 16:47:55 +0100
commitb292c01b2f5132a34a6ed1946e1df54069676988 (patch)
treebbaba605d62c4b827b080545e667b4b49d181830 /README.md
parent7dadaf3fe9793afe7264125edc4e1f1ccd806dc0 (diff)
Installation instructions and badges
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@@ -1,5 +1,7 @@
# chents
+[![Online documentation](https://img.shields.io/badge/docs-jrwb.de-blue.svg)](https://pkgdown.jrwb.de/chents/)
+[![R-Universe status](https://jranke.r-universe.dev/badges/chents)](https://jranke.r-universe.dev/chents)
[![Build Status](https://app.travis-ci.com/jranke/chents.svg?token=Sq9VuYWyRz2FbBLxu6DK&branch=main)](https://app.travis-ci.com/jranke/chents)
[![codecov](https://codecov.io/github/jranke/chents/branch/main/graphs/badge.svg)](https://app.codecov.io/gh/jranke/chents)
@@ -15,8 +17,39 @@ package
information is computed and a 2D graph can be plotted
- Additional information can be read from a local .yaml file
+## Installation
+
+You can conveniently install chents from the repository kindly made available by the
+R-Universe project:
+
+```
+install.packages("chents",
+ repos = c("https://jranke.r-universe.dev", "https://cran.r-project.org"))
+```
+
+In order to profit from the chemoinformatics, you need to install RDKit and its
+python bindings. On a Debian type Linux distribution, just use
+
+```
+sudo apt install python3-rdkit
+```
+If you use this package on Windows or MacOS, I would be happy to include
+installation instructions here if you share them with me, e.g. via a Pull
+Request.
+
+## Configuration of the Python version to use
+
+On Debian type Linux distributions, you can use the following line in your
+global or project specific `.Rprofile` file to tell the `reticulate` package to
+use the system Python version that will find the RDKit installed in the system
+location.
+
+```
+Sys.setenv(RETICULATE_PYTHON="/usr/bin/python3")
+```
+
## Examples
Some examples are available from the
-[reference on jrwb.de](https://pkgdown.jrwb.de/chents/reference).
+[reference on jrwb.de](https://pkgdown.jrwb.de/chents/reference).

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