From b292c01b2f5132a34a6ed1946e1df54069676988 Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Thu, 28 Nov 2024 16:47:55 +0100 Subject: Installation instructions and badges --- README.md | 35 ++++++++++++++++++++++++++++++++++- 1 file changed, 34 insertions(+), 1 deletion(-) (limited to 'README.md') diff --git a/README.md b/README.md index 564d1d9..5334326 100644 --- a/README.md +++ b/README.md @@ -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). -- cgit v1.2.1