diff options
Diffstat (limited to 'python-msaris.spec')
| -rw-r--r-- | python-msaris.spec | 179 |
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 |