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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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Add and test pnfft variant #77

Closed iamashwin99 closed 1 year ago

iamashwin99 commented 1 year ago

This MR fixes #67 partially . PNFFT requires PFFT which is useful only when MPI variant is used.

iamashwin99 commented 1 year ago

PFFT and PNFFT gets picked up for the MPI variant: https://github.com/fangohr/octopus-in-spack/actions/runs/4404903552/jobs/7715110715

Version                : 12.2
Commit                 :
Build time             : Mon Mar 13 14:44:45 UTC 2023
Configuration options  : maxdim3 openmp mpi sse2 avx libxc5 libxc_fxc
Optional libraries     : cgal metis netcdf parmetis pfft pnfft nlopt
Architecture           : x86_64
C compiler             : /home/user/spack/opt/spack/linux-debian11-x86_64_v4/gcc-10.2.1/openmpi-4.1.5-hn6nfwprjx4yzno3wwixc5qecjwc4rc5/bin/mpicc (/home/user/spack/lib/spack/env/gcc/gcc)