commit a70963e1a18b3c95b52328a5f96f15b0d71d2b24 Author: Germann Elsa Sylvia Date: Mon Aug 8 15:54:42 2022 +0200 ADD: compilers.yaml && packages.yaml for merlin clusters diff --git a/sysconfigs/merlin/compilers.yaml b/sysconfigs/merlin/compilers.yaml new file mode 100644 index 0000000..986173e --- /dev/null +++ b/sysconfigs/merlin/compilers.yaml @@ -0,0 +1,92 @@ +compilers: +- compiler: + spec: gcc@4.8.5 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: dpcpp@2022.1.0 + paths: + cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icx + cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/dpcpp + f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx + fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: gcc@9.3.0 + paths: + cc: /opt/psi/Programming/gcc/9.3.0/bin/gcc + cxx: /opt/psi/Programming/gcc/9.3.0/bin/g++ + f77: /opt/psi/Programming/gcc/9.3.0/bin/gfortran + fc: /opt/psi/Programming/gcc/9.3.0/bin/gfortran + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: intel@2021.6.0 + paths: + cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/icc + cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/icpc + f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/ifort + fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/intel64/ifort + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: oneapi@2022.1.0 + paths: + cc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icx + cxx: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/icpx + f77: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx + fc: /opt/psi/Programming/intel/22.2/compiler/2022.1.0/linux/bin/ifx + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: gcc@9.5.0 + paths: + cc: /opt/psi/Programming/gcc/9.5.0/bin/gcc + cxx: /opt/psi/Programming/gcc/9.5.0/bin/g++ + f77: /opt/psi/Programming/gcc/9.5.0/bin/gfortran + fc: /opt/psi/Programming/gcc/9.5.0/bin/gfortran + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] +- compiler: + spec: nvhpc@21.5 + paths: + cc: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvc + cxx: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvc++ + f77: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvfortran + fc: /opt/psi/Programming/pgi/21.5/Linux_x86_64/21.5/compilers/bin/nvfortran + flags: {} + operating_system: rhel7 + target: x86_64 + modules: [] + environment: {} + extra_rpaths: [] diff --git a/sysconfigs/merlin/packages.yaml b/sysconfigs/merlin/packages.yaml new file mode 100644 index 0000000..634af57 --- /dev/null +++ b/sysconfigs/merlin/packages.yaml @@ -0,0 +1,284 @@ +packages: + all: + compiler: + - gcc@9.5.0 + - gcc@9.3.0 + - intel@2021.6.0 + - oneapi@2022.1.0 + - dpcpp@2022.1.0 + - nvhpc@21.5 + providers: + blas: + - intel-mkl + mkl: + - intel-mkl + mpi: [openmpi, intel-oneapi-mpi, mpich] + pkgconfig: + - pkg-config + scalapack: + - intel-mkl + target: + - haswell + autoconf: + buildable: false + externals: + - spec: autoconf@2.69 + prefix: /usr + automake: + buildable: false + externals: + - spec: automake@1.13.4 + prefix: /usr + bash: + buildable: false + externals: + - prefix: /opt/psi/System/bash/5.1.16 + spec: bash@5.1.16 + binutils: + buildable: false + externals: + - spec: binutils@2.27.44 + prefix: /usr + bison: + externals: + - prefix: /opt/psi/Programming/bison/3.8.2 + spec: bison@3.8.2 + bzip2: + buildable: false + externals: + - prefix: /usr + spec: bzip2@1.0.6 + cmake: + externals: + - spec: cmake@3.23.2 + prefix: /opt/psi/Programming/cmake/3.23.2 + cpio: + buildable: false + externals: + - prefix: /usr + spec: cpio@2.11 + cvs: + externals: + - spec: cvs@1.11.23 + prefix: /usr + cuda: + externals: + - spec: cuda@11.5.1%gcc + prefix: /opt/psi/Programming/cuda/11.5.1 + - spec: cuda@11.0.3%gcc@9.3.0 + prefix: /opt/psi/Compiler/cuda/11.0.3/gcc/9.3.0 + curl: + buildable: false + externals: + - prefix: /usr + spec: curl@7.29.0 + diffutils: + externals: + - spec: diffutils@3.3 + prefix: /usr + doxygen: + buildable: false + externals: + - prefix: /usr + spec: doxygen@1.8.5 + file: + buildable: false + externals: + - prefix: /usr + spec: file@5.11 + findutils: + externals: + - spec: findutils@4.5.11 + prefix: /usr + flex: + externals: + - spec: flex@2.5.37+lex + prefix: /usr + gawk: + externals: + - spec: gawk@4.0.2 + prefix: /usr + ghostscript: + buildable: false + externals: + - prefix: /usr + spec: ghostscript@9.25 + git: + externals: + - spec: git@1.8.3.1~tcltk + prefix: /usr + gmake: + externals: + - spec: gmake@3.82 + prefix: /usr + gmp: + externals: + - spec: gmp@6.2.1 + prefix: /opt/psi/Libraries/gmp/6.2.1 + groff: + externals: + - spec: groff@1.22.2 + prefix: /usr + hdf5: + buildable: false + externals: + - spec: hdf5@1.8.21%gcc@8.2.0 ~mpi +hl +fortran +shared + prefix: /opt/psi/Compiler/hdf5_serial/1.8.21/gcc/8.2.0 + - spec: hdf5@1.8.21%intel@18.4 ~mpi +hl +fortran +shared + prefix: /opt/psi/Compiler/hdf5_serial/1.8.21/intel/18.4 + - spec: hdf5@1.8.21%nvhpc@18.5 ~mpi +hl +fortran +shared + prefix: /opt/psi/Compiler/hdf5_serial/1.8.21/pgi/18.5 + - spec: hdf5@1.8.20%gcc@7.3.0 +mpi +hl +fortran +shared + prefix: /opt/psi/MPI/hdf5/1.8.20/openmpi/3.1.3/gcc/7.3.0/lib + - spec: hdf5@1.8.20%intel@18.4 +mpi +hl +fortran +shared + prefix: /opt/psi/MPI/hdf5/1.8.20/impi/18.4/intel/18.4 + hwloc: + externals: + - spec: hwloc@2.7.1 + prefix: /opt/psi/Libraries/hwloc/2.7.1 + julia: + externals: + - spec: julia@1.7.3 + prefix: /opt/psi/Programming/Julia/1.7.3 + krb5: + externals: + - spec: krb5@1.20 + prefix: /opt/psi/Tools/krb5/1.20 + libfuse: + buildable: false + externals: + - prefix: /usr + spec: libfuse@3.6.1 + libtool: + externals: + - spec: libtool@2.4.2 + prefix: /usr + libxml2: + buildable: true + externals: + - spec: libxml2@2.9.1%gcc + prefix: /usr + lua: + externals: + - spec: lua@5.1.4.5 + prefix: /opt/psi/Programming/lua/5.1.4.5 + m4: + externals: + - spec: m4@1.4.16 + prefix: /usr + mpich: + buildable: false + externals: + - spec: mpich@3.4.3%gcc@11.2.0 + prefix: /opt/psi/Compiler/mpich/3.4.3_merlin/gcc/11.2.0 + nasm: + externals: + - spec: nasm@2.15.05 + prefix: /opt/psi/Programming/nasm/2.15.05 + netcdf-c: + buildable: false + externals: + - spec: netcdf-c@4.8.1%gcc@11.2.0+parallel-netcdf+mpi + prefix: /opt/psi/HDF5/netcdf/4.8.1/hdf5/1.13.1_slurm/openmpi/4.1.3_slurm/gcc/11.2.0 + - spec: netcdf-c@4.6.1%gcc@7.3.0%~parallel-netcdf~mpi + prefix: /opt/psi/HDF5_serial/netcdf/4.6.1/hdf5_serial/1.10.3/gcc/7.3.0 + netcdf-fortran: + buildable: false + externals: + - spec: netcdf-fortran@4.8.1%gcc@11.2.0+parallel-netcdf+mpi + prefix: /opt/psi/HDF5/netcdf/4.8.1/hdf5/1.13.1_slurm/openmpi/4.1.3_slurm/gcc/11.2.0 + - spec: netcdf-fortran@4.6.1%gcc@7.3.0%~parallel-netcdf~mpi + prefix: /opt/psi/HDF5_serial/netcdf/4.6.1/hdf5_serial/1.10.3/gcc/7.3.0 + openjdk: + externals: + - spec: openjdk@11.0.15_10 + prefix: /opt/psi/Programming/Java/15u36/bin + openmpi: + buildable: false + externals: + - spec: openmpi@4.1.3%gcc@11.2.0 + prefix: /opt/psi/Compiler/openmpi/4.1.3_slurm/gcc/11.2.0 + - spec: openmpi@4.1.3%intel@20.4 + prefix: /opt/psi/Compiler/openmpi/4.1.3_slurm/intel/20.4 + openssh: + externals: + - spec: openssh@7.4p1 + prefix: /usr + openssl: + externals: + - spec: openssl@1.1.1n + prefix: /opt/psi/Programming/intel/22.2/intelpython/python3.9 + - spec: openssl@1.0.2k-fips + prefix: /usr + perl: + externals: + - prefix: /opt/psi/Programming/perl/5.30.0 + spec: perl@5.30.0+cpanm+threads + pkg-config: + externals: + - spec: pkg-config@0.27.1 + prefix: /usr + pmix: + externals: + - spec: pmix@3.2.3 + prefix: /opt/psi/Libraries/pmix/3.2.3 + python: + externals: + - spec: python@3.9.10 + prefix: /opt/psi/Programming/Python/3.9.10 + r: + externals: + - spec: r@4.1.1.0 + prefix: /opt/psi/Programming/R/3.2.5 + rsync: + externals: + - spec: rsync@3.1.2 + prefix: /usr + ruby: + buildable: false + externals: + - spec: ruby@2.0.0p648 + prefix: /usr + sed: + externals: + - spec: sed@4.2.2 + prefix: /usr + slurm: + externals: + - spec: slurm@21.08.6%gcc + prefix: /opt/psi/Batchsystem/slurm/21.08.6 + subversion: + externals: + - spec: subversion@1.7.14 + prefix: /usr + tar: + externals: + - spec: tar@1.26 + prefix: /usr + tcl: + externals: + - spec: tcl@8.6.9 + prefix: /opt/psi/Programming/Tcl/8.6.9 + texinfo: + externals: + - spec: texinfo@5.1 + prefix: /usr + texlive: + externals: + - spec: texlive@20170524 + prefix: /opt/psi/Tools/texlive/2017 + ucx: + externals: + - spec: ucx@1.9.0 + prefix: /opt/psi/Libraries/ucx/1.9.0 + xz: + externals: + - spec: xz@5.2.2 + prefix: /usr + zlib: + externals: + - spec: zlib@1.2.7 + prefix: /usr + + + \ No newline at end of file