%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 PdCl2 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 PdCl2 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 PdCl2 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 - 0.1.9-1 - Package Spec generated