Skip to content

This is a library to add python bindings to the crysfml crystallographic library

Notifications You must be signed in to change notification settings

scattering/pycrysfml

Repository files navigation

Build status

pycrysfml

Swig/Fortwrap version of PyCrysfml Automatically generates and compiles python bindings for the CrysFML crystallographic library using a customized version of FortWrap (fortwrap.sourceforge.net) and assosciated wrapper scripts in conjuction with Swig (swig.org) Supports both MacOS and Linux but requires gfortran and g++ on both platforms. Ubuntu dependency lists can be found in doc/Ubuntu_deps.txt MacOS additionally requires gsed. Equivalent packages to those listed for Ubuntu are available for MacOS using the brew package manager

Build

Building is done by running:

./build.sh

This will install the binary pycrysfml module to both bin/ and hklgen/ Optionally local copies of library source code can be used by running:

./build.sh /path/to/Src

Otherwise the latest version of the library will be pulled from the ILL subversion repository.

./clean.sh

can be used to clean the working directory.

After running the build, you can put the current directory on the python path, or run python setup.py install.

Programming API

A complete listing of the autogenerated pycrysfml API is available in bin/help.txt as well as using the built-in Python help.

About

This is a library to add python bindings to the crysfml crystallographic library

Resources

Stars

Watchers

Forks

Packages

No packages published