[easybuild] CP2K-7.1-foss-2020b.eb - undefined reference to 'dfftw_plan_with_nthreads_'

[Loris Bennett]

Hi,

I am trying to build CP2K 7.1 via

  CP2K-7.1-foss-2020b.eb

whereby we use the following in a hook

    # Build PSMP variant of CP2K  
    ##################################################

    if self.name == 'CP2K':
        self.cfg['type'] = 'psmp'
        self.log.info("[pre-configure hook] Added type =\"=psmp\"")
        return

I get the following error:

  
/trinity/shared/easybuild/build/CP2K/7.1/foss-2020b/cp2k-7.1/lib/Linux-x86-64-foss/psmp/libcp2kfft.a(fftw3_lib.o):fftw3_lib.F90:function
 __fftw3_lib_MOD_fftw3_create_plan_3d: error: undefined reference to 
'dfftw_plan_with_nthreads_'

Any ideas what might be causing this?

Cheers,

Loris

-- 
Dr. Loris Bennett (Hr./Mr.)
ZEDAT, Freie Universität Berlin         Email loris.benn...@fu-berlin.de