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xrayutilities 1.7.1-1
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Metadata-Version: 2.1
Name: xrayutilities
Version: 1.7.1
Summary: package for x-ray diffraction data evaluation
Home-page: https://xrayutilities.sourceforge.io
Author: Eugen Wintersberger, Dominik Kriegner
Author-email: eugen.wintersberger@desy.de, dominik.kriegner@gmail.com
Maintainer: Dominik Kriegner
Maintainer-email: dominik.kriegner@gmail.com
License: GPLv2
Description: xrayutilities
        =============
        
        
        [![Build Status](https://dev.azure.com/dominikkriegner/xrayutilities/_apis/build/status/dkriegner.xrayutilities?repoName=dkriegner%2Fxrayutilities&branchName=master)](https://dev.azure.com/dominikkriegner/xrayutilities/_build/latest?definitionId=1&repoName=dkriegner%2Fxrayutilities&branchName=master)
        
        xrayutilities is a collection of scripts used to analyze and simulate x-ray
        diffraction data.  It consists of a Python package and several routines coded
        in C. For analysis the package is especially useful for the reciprocal space
        conversion of diffraction data taken with linear and area detectors. For
        simulations code for X-ray reflectivity, kinematical and dynamical diffraction
        simulation of crystal truncation rods as well as fundamental parameters powder
        diffraction is included.
        
        
        Copyright (C) 2009-2021 Dominik Kriegner <dominik.kriegner@gmail.com>
        
        Copyright (C) 2009-2013 Eugen Wintersberger <eugen.wintersberger@desy.de>
        
        
        Mailing list and issue tracker
        ------------------------------
        
        To get in touch with us or report an issue please use the mailing list
        (https://sourceforge.net/p/xrayutilities/mailman/xrayutilities-users/) or the
        Github issue tracker (https://github.com/dkriegner/xrayutilities/issues). When
        you want to follow announcements of major changes or new releases its
        recommended to [sign up for the mailing
        list](https://sourceforge.net/projects/xrayutilities/lists/xrayutilities-users)
        
        
        Contents
        --------
        
        * *examples*:           directory with example scripts and configurations
        * *lib/xrayutilities*:  directory with the sources for the Python package
        * *tests*:              directory with the unittest scripts
        * *setup.py*:           setuptools install script used for the package installation
        
        
        Installation (pip)
        ==================
        Using the python package manager pip you can install xrayutilities by executing
        
            pip install xrayutilities
        
        or for a user installation (without admin access) use
        
            pip install --user xrayutilities
        
        
        Installation (source)
        =====================
        Installing xrayutilities from source is an easy process done by executing
        
            pip install .
        
        in the source folder of xrayutilities on the command line/terminal. Directly
        calling *setup.py* by
        
            python setup.py install
        
        or
        
            python setup.py install --prefix=<install_path>
        
        is possible but you have to manually ensure that the dependencies are all
        installed! The first command installs xrayutilities in the systems default
        directories, whereas in the second command you can manually specify the
        installation path.
        
        By default the installation procedure tries to enable OpenMP support
        (recommended). It is disabled silently if OpenMP is not available. It can also
        be disable by using the *--without-openmp* option for the installation:
        
            pip install --global-option="--without-openmp" xrayutilities
        
        or
        
            python setup.py --without-openmp install
        
        Requirements
        ------------
        The following requirements are needed for installing and using *xrayutilities*:
        
        - Python (>= 3.6)
        - h5py
        - scipy (version >= 0.13.0)
        - numpy (version >= 1.9)
        - lmfit (>= 1.0.1, optional)
        - matplotlib (optional, version >= 3.1.0)
        - mayavi (optional, only used optionally in Crystal.show_unitcell)
        
        When building from source you also might need:
        
        - C-compiler (preferential with OpenMP support)
        - Python dev headers
        - setuptools
        - tox (optional - only if you want to run the test environment)
        - sphinx (optional - only when you want to build the documentation)
        - numpydoc (optional - only when you want to build the documentation)
        - rst2pdf (optional - only when you want to build the documentation)
        - sphinx_rtd_theme (optional - only when you want to build the documentation)
        - svglib (optional - only when you want to build the pdf documentation)
        
        refer to your operating system documentation to find out how to install
        those packages. On Microsoft Windows refer to the Documentation for the
        easiest way of the installation (Anaconda, Python(x,y), or WinPython).
        
        Python-2.7 and Python-3.X compatibility
        =======================================
        
        The current development is for Python3 (version >=3.6) only. xrayutilities up
        to version 1.5.x can be used with Python-2.7 as well. Python 3.3 to 3.5 was
        supported up to 1.6.0.
        
        The Python package configuration
        ================================
        
        The following steps should only be necessary when using non-default
        installation locations to ensure the Python module is found by the Python
        interpreter. In this case the module is installed under
        *<prefix>/lib[64]/python?.?/site-packages* on Unix systems and
        *<prefix>/Lib/site-packages* on Windows systems.
        
        If you have installed the Python package in a directory unknown to your Python
        distribution, you have to tell Python where to look for the Package.  There are
        several ways how to do this:
        
        - add the directory where the package is installed to your
          *PYTHONPATH* environment variable.
        
        - add the path to sys.path in the *.pythonrc* file placed in your home
          directory
        
              import sys
              sys.path.append("path to the xrayutilities package")
        
        - simply apply the previous method in every script where you want to
          use the xrayutilities package before importing the package
        
              import sys
              sys.path.append("path to the xrayutilities package")
              import xrayutilities
        
        Obtaining the source code
        =========================
        
        The sources are hosted on sourceforge in git repository.
        Use
        
            git clone https://github.com/dkriegner/xrayutilities.git
        
        to clone the git repository. If you would like to have commit rights
        contact one of the administrators.
        
        Update
        ======
        
        if you already installed xrayutilities you can update it by navigating into
        its source folder and obtain the new sources by ::
        
            git pull
        
        or download the new tarball from sourceforge
        (https://sf.net/projects/xrayutilities) if any code changed during the update you
        need to reinstall the Python package. Thats easiest achieved by
        
            pip install .
        
        In case you are not certain about the installation location it can be determined by
        
            python -c "import xrayutilities as xu; print xu.__file__"
              /usr/local/lib64/python3.6/site-packages/xrayutilities/__init__.pyc
        
        if the output is e.g.: */usr/local/lib64/python3.6/site-packages/xrayutilities/__init__.py*
        you previously installed xrayutilities in */usr/local*, which should be used
        again as install path. Use ::
        
            pip install --prefix=<path to install directory> .
        
        to install the updated package.
        
        
        Documentation
        =============
        
        Documentation for xrayutilities is found on the webpage
        https://xrayutilities.sourceforge.io
        
        The API-documentation can also be browsed by
        
            pydoc -p PORT
        
        in any web-browser, after the installation is finished.
        
Platform: UNKNOWN
Classifier: Programming Language :: C
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Intended Audience :: Science/Research
Classifier: Development Status :: 5 - Production/Stable
Classifier: License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)
Requires-Python: ~=3.6
Description-Content-Type: text/markdown
Provides-Extra: plot
Provides-Extra: fit