Can't open attribute (can't locate attribute: 'l_max') when running timeSOAP.ipynb

[phys-chem]

Describe the bug
A clear and concise description of what the bug is.
KeyError Traceback (most recent call last)
/nfs/scistore14//timesoap/SOAPify/Examples/timeSOAP.ipynb Cell 7 line 2
24 slide = 1
26 return nAt, timedSOAP, np.diff(timedSOAP.T, axis=-1)
---> 29 nAtoms, tSOAP, dtSOAP = getTimeSOAP(soapFileName, trajAddress)

/nfs/scistore14//timesoap/SOAPify/Examples/timeSOAP.ipynb Cell 7 line 6
4 print(f)
5 ds = f[f"/SOAP/{trajAddress}"]
----> 6 fillSettings = getSOAPSettings(ds)
7 print(fillSettings)
8 print(ds.shape)

File ~/software/soapify/lib/python3.10/site-packages/SOAPify/utils.py:345, in getSOAPSettings(fitsetData)
328 """Gets the settings of the SOAP calculation
329
330 you can feed directly this output to :func:fillSOAPVectorFromdscribe
(...)
342
343 """
344 print(fitsetData)
--> 345 lmax = fitsetData.attrs["l_max"]
346 nmax = fitsetData.attrs["n_max"]
347 symbols, atomicSlices = getSlicesFromAttrs(fitsetData.attrs)
...
File h5py/_objects.pyx:55, in h5py._objects.with_phil.wrapper()

File h5py/h5a.pyx:80, in h5py.h5a.open()

KeyError: "Can't open attribute (can't locate attribute: 'l_max')"

Additional context
I use "wget https://github.com/GMPavanLab/dynNP/releases/download/V1.0-trajectories/ico309.hdf5" and put the data file in the same directory with "trajAddress = './' .

[Iximiel]

Oh, that file was generated with an older version, without attributes, or with attributes with a different name,I don't remember well.

Without any context I can only guess that you are using the latest version of SOAPify.

To reproduce the calculations of that repository your environment should use the right requirements.txt (from v0.0.3, the version used for that paper, to v0.1 a lot of things have changed)

[phys-chem]

Oh, that file was generated with an older version, without attributes, or with attributes with a different name,I don't remember well.

Without any context I can only guess that you are using the latest version of SOAPify.

To reproduce the calculations of that repository your environment should use the right requirements.txt (from v0.0.3, the version used for that paper, to v0.1 a lot of things have changed)

Thank you for your help! I am using the latest version, is there an example for the latest version?

[Iximiel]

Yes, look here, I hope this helps