[enhancement] more CI on k8s

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minor tweaks TODO:

• [x] for clang container spfft is not picked up correctly

  -       ^spfft@1.0.6%gcc@11.3.0+cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm+single_precision~static build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2

  • [x] for elpa image, again spfft is not picked

  • ^spfft@1.0.6%gcc@11.3.0+cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2

  • [x] for nlcglib, nlcglib, spla and spfft are not picked

  • ^nlcglib@0.9%gcc@11.3.0+cuda~ipo~openmp+wrapper build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2

  • ^spfft@1.0.6%gcc@11.3.0+cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2

  • ^spla@1.5.4%gcc@11.3.0+cuda~fortran~ipo+openmp~rocm~static build_system=cmake build_type=RelWithDebInfo generator=make arch=linux-ubuntu22.04-zen2

  • [x] for openmpi image: costa, fftw, hdf5, netlib-scalapack, spfft, spla are not picked

    -       ^costa@2.1%gcc@11.3.0~ipo~scalapack+shared build_system=cmake build_type=RelWithDebInfo generator=make arch=linux-ubuntu22.04-zen2
    -       ^fftw@3.3.10%gcc@11.3.0+mpi~openmp~pfft_patches build_system=autotools precision=double,float arch=linux-ubuntu22.04-zen2
    -       ^hdf5@1.14.0%gcc@11.3.0~cxx~fortran+hl~ipo~java~map+mpi+shared~szip~threadsafe+tools api=default build_system=cmake build_type=RelWithDebInfo generator=make patches=0b5dd6f arch=linux-ubuntu22.04-zen2
    -       ^netlib-scalapack@2.2.0%gcc@11.3.0~ipo~pic+shared build_system=cmake build_type=Release generator=make patches=072b006,1c9ce5f,244a9aa arch=linux-ubuntu22.04-zen2
    -       ^spfft@1.0.6%gcc@11.3.0~cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release generator=make arch=linux-ubuntu22.04-zen2
    -       ^spla@1.5.4%gcc@11.3.0~cuda~fortran~ipo+openmp~rocm~static build_system=cmake build_type=RelWithDebInfo generator=make arch=linux-ubuntu22.04-zen2

  • [x] for seqential eigen-solver: magma, spfft, spla are not picked

        -       ^magma@2.7.1%gcc@11.3.0+cuda+fortran~ipo~rocm+shared build_system=cmake build_type=RelWithDebInfo cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2
        -       ^spfft@1.0.6%gcc@11.3.0+cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2
        -       ^spla@1.5.4%gcc@11.3.0+cuda~fortran~ipo+openmp~rocm~static build_system=cmake build_type=RelWithDebInfo generator=make arch=linux-ubuntu22.04-zen2

  • [x] for vdwxc build: netlib-scalapack, spfft, spla are not picked

  • ^netlib-scalapack@2.2.0%gcc@11.3.0~ipo~pic+shared build_system=cmake build_type=Release generator=make patches=072b006,1c9ce5f,244a9aa arch=linux-ubuntu22.04-zen2

  • ^spfft@1.0.6%gcc@11.3.0+cuda~fortran~gpu_direct~ipo+mpi+openmp~rocm~single_precision~static build_system=cmake build_type=Release cuda_arch=60 generator=make arch=linux-ubuntu22.04-zen2

  • ^spla@1.5.4%gcc@11.3.0+cuda~fortran~ipo+openmp~rocm~static build_system=cmake build_type=RelWithDebInfo generator=make arch=linux-ubuntu22.04-zen2

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cscs-ci run default

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cscs-ci run default

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cscs-ci run default

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cscs-ci run default

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cscs-ci run default

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cscs-ci run default

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cscs-ci run default

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Summary of the changes:

• most of the builds are done on K8S farm
• github only tests a simple cpu and simple gpu builds
• Dockerfiles for CI/CD are updates