44 lines
1.5 KiB
Plaintext
44 lines
1.5 KiB
Plaintext
This directory contains build settings for the LATTE library which
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is required to use the LATTE package and its fix latte command in a
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LAMMPS input script.
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Information about the LATTE DFTB code can be found at:
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https://github.com/losalamos/LATTE
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The LATTE development effort is led by Marc Cawkwell and
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Anders Niklasson at Los Alamos National Laboratory.
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To download, build, and install LATTE as a library on your system,
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follow these steps:
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- Download or clone the LATTE source code from:
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https://github.com/losalamos/LATTE.
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- Modify the makefile.CHOICES according to your system architecture
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and compilers.
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- Set the MAKELIB flag to ON in makefile.CHOICES and finally, build the
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code with the make command.
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Note that if you unpack and build LATTE in this directory and you
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download a new LAMMPS tarball, the files you have added here will be
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lost. So you likely want to build it somewhere else. The recommended
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place is the home directory.
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To build LAMMPS with the LATTE library you should follow the following
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instructions:
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- copy makefile.lammps.* to makefile.lammps in the /lammps/lib/latte directory.
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- Change the path, flags and compilers on the makefile.lammps according
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to your compilers, architecture and the LATTE location.
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- Finally, you should execute the following commands:
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$ cd lammps/src
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$ make yes-latte
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$ make g++ (or whatever target you wish)
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Note that the Makefile.lammps file in this directory is required to
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allow the LAMMPS build to find the necessary LATTE files. You should
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not normally need to edit this file.
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