search

lsmo-epfl / aiida-lsmo

AiiDA workflows for the LSMO laboratory at EPFL
Other
9 stars 13 forks source link

Doesn't work if pip install aiida-lsmo (without -e optioin) #31

Closed yakutovicha closed 4 years ago

yakutovicha commented 4 years ago

When I run Isotherm workflow I get the problem:

...
  File "/home/aiida/.local/lib/python3.7/site-packages/aiida_lsmo/workchains/isotherm.py", line 55, in get_molecule_dict
    with open(yamlfile, 'r') as stream:
FileNotFoundError: [Errno 2] No such file or directory: '/home/aiida/.local/lib/python3.7/site-packages/aiida_lsmo/workchains/isotherm_data/isotherm_molecules.yaml'

One should add those files to MANIFEST.in so that they get included into the python package.

danieleongari commented 4 years ago

This problem then should be also extended to YAMLs containing the protocol of Multistage wc. Thanks for reporting, I will make the MANIFEST.in