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Fork of library used in reading xtc files from GROMACS simulations

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wesbarnett/libxdrfile

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James Barnett
Mar 9, 2017
daa74be · Mar 9, 2017

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libxdrfile

Fork of MDAnalysis's implementation of xdrfile, which itself is a fork of GROMACS's implementation. I forked MDAnalysis' version because they have made several improvements that were never merged upstream. Additionally I wanted xdrfile to be a separate package that was easy to link other libraries to.

This version of xdrfile is required for libgmxfort.

Compilation

mkdir build
cd build
cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local
make

Installation

make install

Testing

To test the library capabilities, do:

make test

Linking other cmake projects

A file is included to easily link other cmake projects to the xdrfile installation. Use find_package ( xdrfile ) and the variables xdrfile_INCLUDE_DIRS and xdrfile_LIBRARIES.

pkg-config

A pkg-config file is included for use in compiling other programs. You may need to set PKG_CONFIG_PATH to its location (by default /usr/local/lib/pkgconfig).

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Fork of library used in reading xtc files from GROMACS simulations

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