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fangohr / octopus-in-spack

Develop Octopus in spack (software packaging)
BSD 3-Clause "New" or "Revised" License
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Use of `nfft`, `pfft` and `pnfft` #94

Open lang-m opened 11 months ago

lang-m commented 11 months ago

A few month ago support for nfft and pnfft was added. I don't know which combinations of these libraries should either be used together or are mutually exclusive. Should additional checks be added in case any specific combinations are required or disallowed?

fangohr commented 5 months ago

Need to check: 

variant(
"pnfft",
default=False,
when="+pfft",
description="Compile with PNFFT - Parallel Nonequispaced FFT library",
)

For the p variants, we need +mpi.

Check if the required dependency here is pfft (as above) or nfft.

Do the p variants depend on fftw+mpi? (Henning says 'yes')