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devinamatthews / aquarius

Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor operations. Aquarius is primarily focused on iterative methods such as CC, CI, and EOMCC.
BSD 3-Clause "New" or "Revised" License
27 stars 11 forks source link

update configure #24

Closed jeffhammond closed 2 years ago

jeffhammond commented 2 years ago

autoconf 2.70+ is required to support the ifx compiler. with older versions of autotools, -mllvm -loopopt=0 is incorrectly recognized as involving a library oopopt=0, which causes a failure like this:

configure:5781: mpiicc -o conftest -g -O2  -fopenmp  -fopenmp conftest.c   -loopopt=0 -L/opt/intel/oneapi/tbb/2021.5.1/env/../lib/intel64/gcc4.8 -L/opt/intel/oneapi/mpi/2021.5.1//libfabric/lib -L/opt/intel/oneapi/mpi/2021.5.1//lib/release -L/opt/intel/oneapi/mpi/2021.5.1//lib -L/opt/intel/oneapi/mkl/2022.0.2/lib/intel64 -L/opt/intel/oneapi/ipp/2021.5.2/lib/intel64 -L/opt/intel/oneapi/dal/2021.5.3/lib/intel64 -L/opt/intel/oneapi/compiler/2022.0.2/linux/compiler/lib/intel64_lin -L/opt/intel/oneapi/compiler/2022.0.2/linux/lib -L/opt/intel/oneapi/mpi/2021.5.1//libfabric/lib/../lib/ -L/opt/intel/oneapi/mpi/2021.5.1//lib/../lib/ -L/opt/intel/oneapi/compiler/2022.0.2/linux/lib/../lib/ -L/usr/lib/gcc/x86_64-linux-gnu/11/ -L/usr/lib/gcc/x86_64-linux-gnu/11/../../../x86_64-linux-gnu/ -L/usr/lib/gcc/x86_64-linux-gnu/11/../../../../lib64 -L/usr/lib/gcc/x86_64-linux-gnu/11/../../../../lib/ -L/lib/x86_64-linux-gnu/ -L/lib/../lib64 -L/lib/../lib/ -L/usr/lib/x86_64-linux-gnu/ -L/usr/lib/../lib64 -L/usr/lib/../lib/ -L/opt/intel/oneapi/tbb/2021.5.1/env/../lib/intel64/gcc4.8/ -L/opt/intel/oneapi/mpi/2021.5.1//libfabric/lib/ -L/opt/intel/oneapi/mpi/2021.5.1//lib/release/ -L/opt/intel/oneapi/mpi/2021.5.1//lib/ -L/opt/intel/oneapi/mkl/2022.0.2/lib/intel64/ -L/opt/intel/oneapi/ipp/2021.5.2/lib/intel64/ -L/opt/intel/oneapi/dal/2021.5.3/lib/intel64/ -L/opt/intel/oneapi/compiler/2022.0.2/linux/compiler/lib/intel64_lin/ -L/opt/intel/oneapi/compiler/2022.0.2/linux/lib/ -L/usr/lib/gcc/x86_64-linux-gnu/11/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib -L/usr/lib/i386-linux-gnu -lifport -lifcoremt -limf -lsvml -lm -lipgo -liomp5 -lirc -lpthread -lirc_s -ldl >&5
ld: cannot find -loopopt=0

thanks to @mbycklin for pointing me to this solution.

devinamatthews commented 2 years ago

@jeffhammond can you autoreconf again now that I merged #22 ?

jeffhammond commented 2 years ago

let me know if this is right. i am not 100% certain about my git skills.

devinamatthews commented 2 years ago

Looks right.