ADD: compilers.yaml && packages.yaml for merlin clusters

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: []

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
+      
+
+