NumPy version has to be at least 1.12
Summary
Running hiphive on hebbe for the construction of an FCP raised the following error:
Traceback (most recent call last):
File "fit_finalized_model.py", line 44, in <module>
fcp = ForceConstantPotential(sc.cluster_space, cve.parameters)
File "/c3se/users/erhart/Hebbe/progs/hiphive/hiphive/force_constant_potential.py", line 57, in __init__
fc = rotate_tensor(new_orbit.force_constant, R.T)
File "/c3se/users/erhart/Hebbe/progs/hiphive/hiphive/core/tensors.py", line 25, in rotate_tensor
return np.einsum(*einsum_input, optimize=_paths[order])
TypeError: 'optimize' is an invalid keyword for einsum
The keyword optimize
is only supported from version 1.12 whereas the installed version is 1.11.1.
https://docs.scipy.org/doc/numpy/reference/generated/numpy.einsum.html
We should thus update the requirements in setup.py
.