diff options
| author | CoprDistGit <infra@openeuler.org> | 2023-05-10 04:11:20 +0000 |
|---|---|---|
| committer | CoprDistGit <infra@openeuler.org> | 2023-05-10 04:11:20 +0000 |
| commit | 84a1f5e4f24e91bd4d5e62b41fe9b46192fea7ec (patch) | |
| tree | 9e0de0cd0ad873361c4ddcf74b4e39178faad7d9 /python-pyxrd.spec | |
| parent | 1da17b3e1647bafe2de4555317e96ad70b71c24f (diff) | |
automatic import of python-pyxrdopeneuler20.03
Diffstat (limited to 'python-pyxrd.spec')
| -rw-r--r-- | python-pyxrd.spec | 167 |
1 files changed, 167 insertions, 0 deletions
diff --git a/python-pyxrd.spec b/python-pyxrd.spec new file mode 100644 index 0000000..bc84010 --- /dev/null +++ b/python-pyxrd.spec @@ -0,0 +1,167 @@ +%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 |
