@bernd
I assume python starts a Python3 shell for you! For me it is still python3.
I use conda environments so yes python point to python3 in this case
I assume the directory "/home/jesusbill/Dev-Projects/github.com/Jesusbill/BOLTS" even if BOLTS says it does not. Would you double check?
Yes this is the directory of bolts
One part of this command is working as it does check the validity of the data; I changed for example manually the yaml file for HEA and I was getting an error for missing columns.
Tracing back the error, it is raised here. The problem is that self.backend_root
which points to a "pythonpackage" directory in the main folder does not exist.
I went on creating this folder and the command is now run but nothing is written in there, instead a new folder output/pythonpackage/boltspy
is created which seems to contain a copy of all data and of of the folder bolttools
but then again running the rest of the code you suggest does not allow me to: import boltspy as bolts
(ifc) jesusbill@pop-os:~/Dev-Projects/github.com/Jesusbill/BOLTS$ python
Python 3.7.10 (default, Feb 26 2021, 18:47:35)
[GCC 7.3.0] :: Anaconda, Inc. on linux
Type "help", "copyright", "credits" or "license" for more information.
>>> bolts_code_path = "/home/jesusbill/Dev-Projects/github.com/Jesusbill/BOLTS/"
>>> import sys
>>> from os.path import join
>>> sys.path.append(join(bolts_code_path, "BOLTS", "output", "pythonpackage"))
>>> import boltspy as bolts
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
ModuleNotFoundError: No module named 'boltspy'
I will try to look into it later today, I guess should be a trivial issue. But what is the pythonpackage folder needed for in the main folder, I guess this is not really needed. I see that it also looks for the freecad
folder as well. Hmm, a bit mysterious how things are done