numpy
cython>=3.0.0
mpi4py>=4.0.0
matplotlib
h5py>=3.0.0
nfft

[GPR]
GPy
emukit
h5py<=3.10.0

[NN]
torch>=2.3.0
torchvision
torchsummary
tensorflow
optuna

[cuda]
cupy

[cuda12x]
cupy-cuda12x

[optionals]
ensight-reader
pyvista
scikit-learn
nvtx

[rocm-4-0]
cupy-rocm-4-0
