PaNOSC-ViNYL / SimEx

Start-to-end photon experiment simulation platform
https://simex.readthedocs.io/
GNU General Public License v3.0
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XMDYNPhotonMatterInteractorTest error #223

Closed JunCEEE closed 3 years ago

JunCEEE commented 3 years ago
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ERROR: testBackengineMultipleProp (__main__.XMDYNPhotonMatterInteractorTest)
Check that the backengine method works correctly.
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Traceback (most recent call last):
  File "XMDYNPhotonMatterInteractorTest.py", line 174, in testBackengineMultipleProp
    status = test_interactor.backengine()
  File "/gpfs/exfel/data/user/juncheng/simex-branch/Sources/python/SimEx/Calculators/XMDYNPhotonMatterInteractor.py", line 233, in backengine
    ' --pmi_params ' + \
  File "/gpfs/exfel/data/user/juncheng/miniconda3/envs/simex-branch/lib/python3.7/os.py", line 681, in __getitem__
    raise KeyError(key) from None
KeyError: 'XMDYNANDXATOMDBPATH'
CFGrote commented 3 years ago

you have to set than environment variable to point to a directory than holds your dbase