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%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
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