05/06: gnu: Add r-speaq.

[guix-commits]

rekado pushed a commit to branch master
in repository guix.

commit b374a45eb0468189140c19b5cebcf8282eb6c20a
Author: Mădălin Ionel Patrașcu <madalinionel.patrascu@mdc-berlin.de>
AuthorDate: Tue Jan 17 13:25:37 2023 +0100

    gnu: Add r-speaq.
    
    * gnu/packages/bioconductor.scm (r-speaq): New variable.
---
 gnu/packages/bioconductor.scm | 42 +++++++++++++++++++++++++++++++++++++++++-
 1 file changed, 41 insertions(+), 1 deletion(-)

diff --git a/gnu/packages/bioconductor.scm b/gnu/packages/bioconductor.scm
index 6f2c7380fb..343a500fc3 100644
--- a/gnu/packages/bioconductor.scm
+++ b/gnu/packages/bioconductor.scm
@@ -7,7 +7,7 @@
 ;;; Copyright © 2017, 2018, 2019, 2020, 2021 Tobias Geerinckx-Rice 
<me@tobias.gr>
 ;;; Copyright © 2019, 2020, 2021, 2022, 2023 Simon Tournier 
<zimon.toutoune@gmail.com>
 ;;; Copyright © 2020 Peter Lo <peterloleungyau@gmail.com>
-;;; Copyright © 2020, 2021, 2022 Mădălin Ionel Patrașcu 
<madalinionel.patrascu@mdc-berlin.de>
+;;; Copyright © 2020-2023 Mădălin Ionel Patrașcu 
<madalinionel.patrascu@mdc-berlin.de>
 ;;; Copyright © 2020 Jakub Kądziołka <kuba@kadziolka.net>
 ;;; Copyright © 2021 Hong Li <hli@mdc-berlin.de>
 ;;; Copyright © 2021 Tim Howes <timhowes@lavabit.com>
@@ -7843,6 +7843,46 @@ events and allows for the incorporation of prior 
knowledge through supervised
 graph construction.")
    (license license:artistic2.0)))
 
+;; This is a CRAN package but it depends on a bionconductor package.
+(define-public r-speaq
+  (package
+    (name "r-speaq")
+    (version "2.7.0")
+    (source (origin
+              (method url-fetch)
+              (uri (cran-uri "speaq" version))
+              (sha256
+               (base32
+                "0z9a3nbfazphp090c6hg892vjq7jp4g4cij3s5wbs1q567inbmlk"))))
+    (properties `((upstream-name . "speaq")))
+    (build-system r-build-system)
+    (propagated-inputs
+     (list r-cluster
+           r-data-table
+           r-dosnow
+           r-foreach
+           r-ggplot2
+           r-gridextra
+           r-impute
+           r-massspecwavelet
+           r-missforest
+           r-reshape2
+           r-rfast
+           r-rvest
+           r-xml2))
+    (native-inputs (list r-knitr))
+    (home-page "https://cran.r-project.org/package=speaq";)
+    (synopsis "Tools for nuclear magnetic resonance spectra alignment")
+    (description
+     "This package helps with @acronym{NMR, Nuclear Magnetic Resonance} 
spectroscopy
+data analysis as easy as possible.  It only requires a small set of functions 
to
+perform an entire analysis.  Speaq offers the possibility of raw spectra 
alignment
+and quantitation but also an analysis based on features whereby the spectra are
+converted to peaks which are then grouped and turned into features.  These 
features
+can be processed with any number of statistical tools either included in speaq
+or available elsewhere on CRAN.")
+    (license license:asl2.0)))
+
 (define-public r-stager
   (package
     (name "r-stager")