AMDAT

Making AMDAT

These instructions build AMDAT with the same toolchain on any Linux system using Conda. FFTW and the compiler toolchain come from Conda; the XDR library is vendored in the source tree; Voro++ is built as part of the normal build.

1) Prerequisites

• Conda / Miniconda
• Linux (for other OSes, use a container or adapt the toolchain)

For CIRCE Users

You can load and init conda using the following commands.

module load apps/miniconda/4.7.12
source /apps/miniconda3/4.7.12/etc/profile.d/conda.sh

This is a bit of an ancient conda and you should ideally install your own.

2) Create the build environment

Navigate to the AMDAT root directory and create a tailored conda environment.

cd /path/to/AMDAT/
make conda-setup

This creates a conda environment called amdat to consistently make AMDAT and all of its libraries. This task has to only be done once.

3) Build

Activate the conda environment and build. Use the provided Make targets; they automatically use the Conda compilers and ensure Voro++ is built correctly.

conda activate amdat
make

Or to compile with 10 cores

make -j10

For developers, to build AMDAT with debugging flags (for use with a debugging software like GDB or Valgrind)

make MODE=debug

This produces the AMDAT executable in the repo root.

4) Run

./AMDAT -i path/to/input.in

Depending on your build, you may need to activate the conda environment before running, or:

conda run -n amdat ./AMDAT -i path/to/input.in

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