automatic import of python-msarisopeneuler20.03

1 files changed, 179 insertions, 0 deletions

diff --git a/python-msaris.spec b/python-msaris.spec
new file mode 100644
index 0000000..b119f63
--- /dev/null
+++ b/python-msaris.spec
@@ -0,0 +1,179 @@
+%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