%global _empty_manifest_terminate_build 0
Name:		python-msaris
Version:	0.1.9
Release:	1
Summary:	Python package to identify isotope patterns and their formulas
License:	MIT
URL:		https://github.com/Borschevik/msaris
Source0:	https://mirrors.aliyun.com/pypi/web/packages/8e/cd/b60faa9472e284351aed6655dca43cc8b192e6917ba0e57eaefbcbc0c687/msaris-0.1.9.tar.gz
BuildArch:	noarch

Requires:	python3-IsoSpecPy
Requires:	python3-PuLP
Requires:	python3-molmass
Requires:	python3-multiprocess
Requires:	python3-numpy
Requires:	python3-openms
Requires:	python3-pandas
Requires:	python3-pyopenms
Requires:	python3-pytest
Requires:	python3-scipy
Requires:	python3-typer

%description
# msaris
 Mass Spectrometry Automatic Recognition Integrated Service

Package of classes, methods and function to
perform search of isotope patterns, their identification and
identifying their formulas

## Installation

To install last version from pypi following command can be used

> pip install msaris==0.1.8b2

It is also possible to install from cloned repository via sdist installation

> python3 setup.py sdist bdist_wheel

It is recommended to run package and associated script in isolated python virtual environment
For creating environment `venv` or `virtualenv` can be used

## Usage

Example of running isotope pattern recognition presented in example workflow.\
Code in `jupyter notebook` can be adjusted to own .mzML files.\
Plotting and report creation in notebook presented as example can be used
in code. \
To see examples proceed to `example` folder

It shall be pointed that current version adjusted for one PdCl<sub>2</sub> and CuCl solutions
in acetonitrile. Future versions would expand applications for other systems.




%package -n python3-msaris
Summary:	Python package to identify isotope patterns and their formulas
Provides:	python-msaris
BuildRequires:	python3-devel
BuildRequires:	python3-setuptools
BuildRequires:	python3-pip
%description -n python3-msaris
# msaris
 Mass Spectrometry Automatic Recognition Integrated Service

Package of classes, methods and function to
perform search of isotope patterns, their identification and
identifying their formulas

## Installation

To install last version from pypi following command can be used

> pip install msaris==0.1.8b2

It is also possible to install from cloned repository via sdist installation

> python3 setup.py sdist bdist_wheel

It is recommended to run package and associated script in isolated python virtual environment
For creating environment `venv` or `virtualenv` can be used

## Usage

Example of running isotope pattern recognition presented in example workflow.\
Code in `jupyter notebook` can be adjusted to own .mzML files.\
Plotting and report creation in notebook presented as example can be used
in code. \
To see examples proceed to `example` folder

It shall be pointed that current version adjusted for one PdCl<sub>2</sub> and CuCl solutions
in acetonitrile. Future versions would expand applications for other systems.




%package help
Summary:	Development documents and examples for msaris
Provides:	python3-msaris-doc
%description help
# msaris
 Mass Spectrometry Automatic Recognition Integrated Service

Package of classes, methods and function to
perform search of isotope patterns, their identification and
identifying their formulas

## Installation

To install last version from pypi following command can be used

> pip install msaris==0.1.8b2

It is also possible to install from cloned repository via sdist installation

> python3 setup.py sdist bdist_wheel

It is recommended to run package and associated script in isolated python virtual environment
For creating environment `venv` or `virtualenv` can be used

## Usage

Example of running isotope pattern recognition presented in example workflow.\
Code in `jupyter notebook` can be adjusted to own .mzML files.\
Plotting and report creation in notebook presented as example can be used
in code. \
To see examples proceed to `example` folder

It shall be pointed that current version adjusted for one PdCl<sub>2</sub> and CuCl solutions
in acetonitrile. Future versions would expand applications for other systems.




%prep
%autosetup -n msaris-0.1.9

%build
%py3_build

%install
%py3_install
install -d -m755 %{buildroot}/%{_pkgdocdir}
if [ -d doc ]; then cp -arf doc %{buildroot}/%{_pkgdocdir}; fi
if [ -d docs ]; then cp -arf docs %{buildroot}/%{_pkgdocdir}; fi
if [ -d example ]; then cp -arf example %{buildroot}/%{_pkgdocdir}; fi
if [ -d examples ]; then cp -arf examples %{buildroot}/%{_pkgdocdir}; fi
pushd %{buildroot}
if [ -d usr/lib ]; then
	find usr/lib -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/lib64 ]; then
	find usr/lib64 -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/bin ]; then
	find usr/bin -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
if [ -d usr/sbin ]; then
	find usr/sbin -type f -printf "\"/%h/%f\"\n" >> filelist.lst
fi
touch doclist.lst
if [ -d usr/share/man ]; then
	find usr/share/man -type f -printf "\"/%h/%f.gz\"\n" >> doclist.lst
fi
popd
mv %{buildroot}/filelist.lst .
mv %{buildroot}/doclist.lst .

%files -n python3-msaris -f filelist.lst
%dir %{python3_sitelib}/*

%files help -f doclist.lst
%{_docdir}/*

%changelog
* Tue Jun 20 2023 Python_Bot <Python_Bot@openeuler.org> - 0.1.9-1
- Package Spec generated