Collection of configuration scripts, tricks and other stuff on how to compile and set up different quantum engines on different machines. This is suited for stuff which is not on conda-forge, otherwise just install from there.
For each new cluster/machine, we provide a new folder. Inside this folder, each file can be either a:
- configure-x-y.sh, where x and y are repsectively: yambo version (5.1, 5.2 and so on) and machine (Leonardo, Piz-Daint and so on); they should contain both module loading/swtiching and configure execution with options provided, and also some line explaining why such options are used (why intel_2020 and not intel_2021 and so on...). It HAS to be specified if the code is compiled for GPU or not (you may also provide both cases); Eventually, list also the executable that you have successfully compiled;
- tricks.txt, in which we collect tricks to perform compilation (for example "in machine x the version Y of the compiler has a bug...);
- modified configure file (for example in case of cray machines it may be useful). To be specified in tricks.txt.
See the Piz-Daint example for a reference.