dftd4 build error when compiled with intel 21.4.0 #161
Description
Describe the bug
Installation dftd4 with intel-oneapi-compiler/21.4.0 throws build error,
==> Installing dftd4-3.4.0-6lq6nlvn3tnryivoaehspd77hi4jik3n
==> No binary for dftd4-3.4.0-6lq6nlvn3tnryivoaehspd77hi4jik3n found: installing from source
==> Using cached archive: ~/spack/cache/_source-cache/archive/24/24fcb225cdd5c292ac26f7d3204ee3c4024174adb5272eeda9ae7bc57113ec8d.tar.xz
==> No patches needed for dftd4
==> dftd4: Executing phase: 'meson'
==> Error: ProcessError: Command exited with status 1:
'meson' '~/haswell/spack-stage-dftd4-3.4.0-6lq6nlvn3tnryivoaehspd77hi4jik3n/spack-src' '--prefix=~/haswell/dftd4/3.4.0-intel-6lq6nlv' '--libdir=~/haswell/dftd4/3.4.0-intel-6lq6nlv/lib' '-Dbuildtype=debugoptimized' '-Dstrip=false' '-Ddefault_library=shared' '-Dlapack=mkl' '-Dopenmp=true' '-Dpython=false'
1 error found in build log:
21 Host machine cpu: x86_64
22 C compiler for the host machine: icc (intel 2021.4.0 "icc (ICC) 2021.4.0 20210910")
23 C linker for the host machine: icc ld.bfd 2.37.20211103-7
24 Run-time dependency OpenMP found: YES 5.0-revision1
25 Library mkl_intel_lp64 found: YES
26
>> 27 ../config/meson.build:58:6: ERROR: Fortran shared or static library 'mkl_intel_thread' not found
28
29 A full log can be found at ~/haswell/spack-stage-dftd4-3.4.0-6lq6nlvn3tnryivoaehspd77hi4jik3n/spack-src/spack-build/meson-logs/meson-log.t
xt
To Reproduce
spack install dftd4%[email protected]
Additional context
Probably a solution would be to add -Dfortran_link_args=-qopenmp when compiled with [email protected]
I am not sure. I just wanted your feedback. What would be the cause of this build error? I have adopted the spack package locally, adding this flag. What would be your recommendations to fix the build error and spack package?