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authorCoprDistGit <infra@openeuler.org>2023-05-10 04:11:20 +0000
committerCoprDistGit <infra@openeuler.org>2023-05-10 04:11:20 +0000
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tree9e0de0cd0ad873361c4ddcf74b4e39178faad7d9 /python-pyxrd.spec
parent1da17b3e1647bafe2de4555317e96ad70b71c24f (diff)
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+%global _empty_manifest_terminate_build 0
+Name: python-PyXRD
+Version: 0.8.4
+Release: 1
+Summary: PyXRD is a python implementation of the matrix algorithm developed for the X-ray diffraction analysis of disordered lamellar structures
+License: BSD
+URL: http://github.org/mathijs-dumon/PyXRD
+Source0: https://mirrors.nju.edu.cn/pypi/web/packages/82/df/03984961d2af47c41f9d199230f0645f7131ca148e061f9870bf5606edfa/PyXRD-0.8.4.linux-x86_64.tar.gz
+BuildArch: noarch
+
+Requires: python3-setuptools
+Requires: python3-numpy
+Requires: python3-scipy
+Requires: python3-matplotlib
+Requires: python3-Pyro4
+Requires: python3-deap
+Requires: python3-cairocffi
+Requires: python3-pygobject
+
+%description
+PyXRD is a python implementation of the matrix algorithm for computer modeling
+of X-ray diffraction (XRD) patterns of disordered lamellar structures.
+It's goals are to:
+ - provide an easy user-interface for end-users
+ - provide basic tools for displaying and manipulating XRD patterns
+ - produce high-quality (publication-grade) figures
+ - make modelling of XRD patterns for mixed-layer clay minerals 'easy'
+ - be free and open-source (open box instead of closed box model)
+PyXRD was written with the multi-specimen full-profile fitting method in mind.
+A direct result is the ability to 'share' parameters among similar phases.
+This allows for instance to have an air-dry and a glycolated illite-smectite
+share their coherent scattering domain size, but still have different basal
+spacings and interlayer compositions for the smectite component. Or play with
+the di/tri-octahedral composition of a chlorite with ease.
+Other features are (incomplete list):
+ - Import/export several common XRD formats (.RD, .RAW, .CPI, ASCII)
+ - Simple background subtraction/addition (linear or custom patterns)
+ - Smoothing patterns and adding noise to patterns
+ - Peak finding and annotating (markers)
+ - Peak stripping and peak area calculation tools
+ - Custom line colors, line widths, pattern positions, ...
+ - Goniometer settings (wavelengths, geometry settings, ...)
+ - Specimen settings (sample length, absorption, ...)
+ - Automatic parameter refinement using several algorithms, e.g.:
+ - L BFGS B
+ - Brute Force
+ - Covariation Matrix Adapation Evolutionary Strategy (CMA-ES; using DEAP 1.0)
+ - Multiple Particle Swarm Optimization (MPSO; using DEAP 1.0)
+ - Particle-swarm CMA-ES (PS-CMA-ES; using DEAP 1.0)
+ - Scripting support
+
+%package -n python3-PyXRD
+Summary: PyXRD is a python implementation of the matrix algorithm developed for the X-ray diffraction analysis of disordered lamellar structures
+Provides: python-PyXRD
+BuildRequires: python3-devel
+BuildRequires: python3-setuptools
+BuildRequires: python3-pip
+%description -n python3-PyXRD
+PyXRD is a python implementation of the matrix algorithm for computer modeling
+of X-ray diffraction (XRD) patterns of disordered lamellar structures.
+It's goals are to:
+ - provide an easy user-interface for end-users
+ - provide basic tools for displaying and manipulating XRD patterns
+ - produce high-quality (publication-grade) figures
+ - make modelling of XRD patterns for mixed-layer clay minerals 'easy'
+ - be free and open-source (open box instead of closed box model)
+PyXRD was written with the multi-specimen full-profile fitting method in mind.
+A direct result is the ability to 'share' parameters among similar phases.
+This allows for instance to have an air-dry and a glycolated illite-smectite
+share their coherent scattering domain size, but still have different basal
+spacings and interlayer compositions for the smectite component. Or play with
+the di/tri-octahedral composition of a chlorite with ease.
+Other features are (incomplete list):
+ - Import/export several common XRD formats (.RD, .RAW, .CPI, ASCII)
+ - Simple background subtraction/addition (linear or custom patterns)
+ - Smoothing patterns and adding noise to patterns
+ - Peak finding and annotating (markers)
+ - Peak stripping and peak area calculation tools
+ - Custom line colors, line widths, pattern positions, ...
+ - Goniometer settings (wavelengths, geometry settings, ...)
+ - Specimen settings (sample length, absorption, ...)
+ - Automatic parameter refinement using several algorithms, e.g.:
+ - L BFGS B
+ - Brute Force
+ - Covariation Matrix Adapation Evolutionary Strategy (CMA-ES; using DEAP 1.0)
+ - Multiple Particle Swarm Optimization (MPSO; using DEAP 1.0)
+ - Particle-swarm CMA-ES (PS-CMA-ES; using DEAP 1.0)
+ - Scripting support
+
+%package help
+Summary: Development documents and examples for PyXRD
+Provides: python3-PyXRD-doc
+%description help
+PyXRD is a python implementation of the matrix algorithm for computer modeling
+of X-ray diffraction (XRD) patterns of disordered lamellar structures.
+It's goals are to:
+ - provide an easy user-interface for end-users
+ - provide basic tools for displaying and manipulating XRD patterns
+ - produce high-quality (publication-grade) figures
+ - make modelling of XRD patterns for mixed-layer clay minerals 'easy'
+ - be free and open-source (open box instead of closed box model)
+PyXRD was written with the multi-specimen full-profile fitting method in mind.
+A direct result is the ability to 'share' parameters among similar phases.
+This allows for instance to have an air-dry and a glycolated illite-smectite
+share their coherent scattering domain size, but still have different basal
+spacings and interlayer compositions for the smectite component. Or play with
+the di/tri-octahedral composition of a chlorite with ease.
+Other features are (incomplete list):
+ - Import/export several common XRD formats (.RD, .RAW, .CPI, ASCII)
+ - Simple background subtraction/addition (linear or custom patterns)
+ - Smoothing patterns and adding noise to patterns
+ - Peak finding and annotating (markers)
+ - Peak stripping and peak area calculation tools
+ - Custom line colors, line widths, pattern positions, ...
+ - Goniometer settings (wavelengths, geometry settings, ...)
+ - Specimen settings (sample length, absorption, ...)
+ - Automatic parameter refinement using several algorithms, e.g.:
+ - L BFGS B
+ - Brute Force
+ - Covariation Matrix Adapation Evolutionary Strategy (CMA-ES; using DEAP 1.0)
+ - Multiple Particle Swarm Optimization (MPSO; using DEAP 1.0)
+ - Particle-swarm CMA-ES (PS-CMA-ES; using DEAP 1.0)
+ - Scripting support
+
+%prep
+%autosetup -n PyXRD-0.8.4
+
+%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-PyXRD -f filelist.lst
+%dir %{python3_sitelib}/*
+
+%files help -f doclist.lst
+%{_docdir}/*
+
+%changelog
+* Wed May 10 2023 Python_Bot <Python_Bot@openeuler.org> - 0.8.4-1
+- Package Spec generated