New nfft versions incompatible with octopus 12
The latest release of nfft as of this issue is 3.5.3 however the most recent version supported by octopus seems to be 3.2.24( used by our buildbot).
For eg:
when installing octopus with spack :
spack install octopus@12.2%gcc@11.3.0+nfft
==> Concretized octopus@12.1%gcc@11.3.0+nfft
- xg76rgn octopus@12.1%gcc@11.3.0~arpack~cgal~cuda~debug~elpa~libvdwxc~libyaml~likwid~metis+mpi~netcdf+nfft~nlopt~parmetis~pfft~python~scalapack build_system=autotools dev_path=/scratch/karnada/spackbox/iamSpack/testnfft/octopus arch=linux-debian11-sandybridge
[+] zxpx2f5 ^fftw@3.3.10%gcc@11.3.0+mpi+openmp~pfft_patches build_system=autotools precision=double,float arch=linux-debian11-sandybridge
[+] zp2gnoh ^gsl@2.7.1%gcc@11.3.0~external-cblas build_system=autotools arch=linux-debian11-sandybridge
[+] sb4v7ru ^libxc@5.2.3%gcc@11.3.0~cuda+shared build_system=autotools arch=linux-debian11-sandybridge
[+] nd67vw2 ^perl@5.36.0%gcc@11.3.0+cpanm+open+shared+threads build_system=generic arch=linux-debian11-sandybridge
[+] pbfksjr ^berkeley-db@18.1.40%gcc@11.3.0+cxx~docs+stl build_system=autotools patches=26090f4,b231fcc arch=linux-debian11-sandybridge
[+] anqu4at ^bzip2@1.0.8%gcc@11.3.0~debug~pic+shared build_system=generic arch=linux-debian11-sandybridge
[+] rv76svg ^diffutils@3.8%gcc@11.3.0 build_system=autotools arch=linux-debian11-sandybridge
[+] yppj52d ^gdbm@1.23%gcc@11.3.0 build_system=autotools arch=linux-debian11-sandybridge
[+] fhl37vu ^readline@8.2%gcc@11.3.0 build_system=autotools patches=bbf97f1 arch=linux-debian11-sandybridge
- 42xz6t7 ^nfft@3.4.1%gcc@11.3.0 build_system=autotools arch=linux-debian11-sandybridge
.
.
.
==> Installing octopus-12.1-xg76rgnapyvxoc77a2tlboj66nhodk5m
==> No binary for octopus-12.1-xg76rgnapyvxoc77a2tlboj66nhodk5m found: installing from source
==> No patches needed for octopus
==> octopus: Executing phase: 'autoreconf'
==> octopus: Executing phase: 'configure'
==> octopus: Executing phase: 'build'
==> octopus: Executing phase: 'install'
==> octopus: Successfully installed octopus-12.1-xg76rgnapyvxoc77a2tlboj66nhodk5m
Stage: 0.00s. Autoreconf: 0.00s. Configure: 34.71s. Build: 5m 39.78s. Install: 39.10s. Total: 6m 55.18s
but when running octopus nfft dosent show up in the stdout:
Running octopus
Version : 12.1
Commit : 479f5a74a3e8a9925c20c1e7f27872f02941f27a
Build time : Tue Mar 14 11:54:20 CET 2023
Configuration options : maxdim3 openmp mpi sse2 avx libxc5 libxc_fxc
Optional libraries : gdlib metis
Architecture : x86_64
looking at the configure log:
/scratch/karnada/spackbox/iamSpack/testnfft/octopus/configure ...... --with-nfft=/scratch/karnada/spackbox/iamSpack/opt/spack/linux-debian11-sandybridge/gcc-11.3.0/nfft-3.4.1-42xz6t7fr4fsfqenxld646t4kqigzwat ......
.
.
.
checking for nfft... no
configure: WARNING: Could not find NFFT library.
*** Will compile without NFFT support
It does seem to be picked up when we use nfft@3.2.24