Open sassy-crick opened 1 year ago
We are currently looking into the possibility of combining the two programs in one CMake-file. The Python-script kite.py still needs to be linked to Python by hand.
There was an old release of KITE that was packaged in a PyPi-package. However, this version is outdated and it goes against the main idea of KITE: calculating large systems on a large multi-core system. The pre-processing step is only really meant to be run on a personal computer.
As KITE (and Pybinding) is still getting new updates, we are happy to receive feedback to create a better installation process or workflow.
Thanks for the feedback.
I think what might help is in the 'root CMakeList.txt
file to add an option like for example DKITE_TOOLS=ON
so it could be turned off (or on) during configuration time using something like that -DKITE_TOOLS=ON
. I am not that familiar with CMake files, so don't take that literal.
I have also a PR open with EasyBuild and that seems to work from what I can see. I hope that helps a bit.
The current
CMakeLists.txt
does not seem to build theKITE-Tools
program automatically, which makes a scripted approach a bit more complex on a HPC cluster. Furthermore, thetools/CMakeLists.txt
files does only seem to installKITE-tools
but not the also required Python fileskite.py
,process_arpes.py
andprocess_single_shot.py
it seems.It would be great if the root
CMakeLists.txt
could install both,KITE
andKITE-Tools
, including any required Python files, in one go. At least add an option so theKITE-Tools
can be build by runningcmake
once.I think that would greatly improve and makes it easier for users to install the software, and more in line what other projects are doing.
Thanks for looking into this.