File R-IsoSpecR.spec of Package R-IsoSpecR

# Automatically generated by CRAN2OBS
# 
# Spec file for package IsoSpecR 
# This file is auto-generated using information in the package source, 
# esp. Description and Summary. Improvements in that area should be 
# discussed with upstream. 
# 
# Copyright (c) 2026 SUSE LINUX GmbH, Nuernberg, Germany. 
# 
# All modifications and additions to the file contributed by third parties 
# remain the property of their copyright owners, unless otherwise agreed 
# upon. The license for this file, and modifications and additions to the 
# file, is the same license as for the pristine package itself (unless the 
# license for the pristine package is not an Open Source License, in which 
# case the license is the MIT License). An "Open Source License" is a 
# license that conforms to the Open Source Definition (Version 1.9) 
# published by the Open Source Initiative. 
#  
# Please submit bugfixes or comments via http://bugs.opensuse.org/ 
# 
 
%global packname  IsoSpecR 
%global rlibdir   %{_libdir}/R/library 
 
Name:           R-%{packname} 
Version:        2.3.3 
Release:        0 
Summary:        The IsoSpec Algorithm 
Group:          Development/Libraries/Other 
License:        BSD_2_clause + file LICENCE 
URL:            http://cran.r-project.org/web/packages/%{packname} 
Source:         IsoSpecR_2.3.3.tar.gz 
Requires:       R-base 
Requires:	R-Rcpp
 
# %%if 0%%{?sle_version} > 120400 || 0%%{?is_opensuse} 
# # Three others commonly needed 
# BuildRequires:  tex(ae.sty) 
# BuildRequires:  tex(fancyvrb.sty) 
# BuildRequires:  tex(inconsolata.sty) 
# BuildRequires:  tex(natbib.sty) 
# %else 
# BuildRequires:  texlive 
# %endif 
# BuildRequires:  texinfo 
BuildRequires:  fdupes 
BuildRequires:  R-base 
BuildRequires: 	R-Rcpp-devel
BuildRequires:  gcc gcc-c++ gcc-fortran
 
Suggests:	R-testthat
%description 
IsoSpec is a fine structure calculator used for obtaining the most 
probable masses of a chemical compound given the frequencies of the 
composing isotopes and their masses. It finds the smallest set of 
isotopologues with a given probability. The probability is assumed to 
be that of the product of multinomial distributions, each corresponding 
to one particular element and parametrized by the frequencies of 
finding these elements in nature. These numbers are supplied by IUPAC - 
the International Union of Pure and Applied Chemistry. See: Lacki, 
Valkenborg, Startek (2020) <DOI:10.1021/acs.analchem.0c00959> and 
Lacki, Startek, Valkenborg, Gambin (2017) 
<DOI:10.1021/acs.analchem.6b01459> for the description of the 
algorithms used. 
 
%prep 
%setup -q -c -n %{packname} 
# the next line is needed, because we build without --clean in between two packages 
rm -rf ~/.R  
 
 
%build 
 
%install 
mkdir -p %{buildroot}%{rlibdir} 
%{_bindir}/R CMD INSTALL -l %{buildroot}%{rlibdir} %{packname} 
test -d %{packname}/src && (cd %{packname}/src; rm -f *.o *.so) 
rm -f %{buildroot}%{rlibdir}/R.css 
%fdupes -s %{buildroot}%{rlibdir} 
 
#%%check 
#%%{_bindir}/R CMD check %%{packname} 
 
%files 
%dir %{rlibdir}/%{packname} 
%{rlibdir}/%{packname}/CITATION
%doc %{rlibdir}/%{packname}/DESCRIPTION
%{rlibdir}/%{packname}/INDEX
%license %{rlibdir}/%{packname}/LICENCE
%{rlibdir}/%{packname}/Meta
%{rlibdir}/%{packname}/NAMESPACE
%{rlibdir}/%{packname}/R
%{rlibdir}/%{packname}/data
%doc %{rlibdir}/%{packname}/help
%doc %{rlibdir}/%{packname}/html
%{rlibdir}/%{packname}/libs
 
%changelog