From 3b2f4008d5423b139f56ce17b4e53e500a5b7bdd Mon Sep 17 00:00:00 2001 From: germann_e Date: Fri, 7 Jun 2024 12:45:53 +0200 Subject: [PATCH] FIX: restructure env --- env/sles15/x86_64/sysconfigs/compilers.yaml | 62 + env/sles15/x86_64/sysconfigs/packages.yaml | 230 + env/sles15/x86_64/users/ffbidx/spack.yaml | 4 + env/sles15/x86_64/users/hyquas/spack.lock | 13699 ++++++++++++++++ env/sles15/x86_64/users/hyquas/spack.yaml | 10 + env/sles15/x86_64/users/opal/spack.yaml | 9 + .../x86_64/users/py-hiqsimulator/spack.yaml | 5 + env/sles15/x86_64/users/stable/spack.yaml | 17 + 8 files changed, 14036 insertions(+) create mode 100644 env/sles15/x86_64/sysconfigs/compilers.yaml create mode 100644 env/sles15/x86_64/sysconfigs/packages.yaml create mode 100644 env/sles15/x86_64/users/ffbidx/spack.yaml create mode 100644 env/sles15/x86_64/users/hyquas/spack.lock create mode 100644 env/sles15/x86_64/users/hyquas/spack.yaml create mode 100644 env/sles15/x86_64/users/opal/spack.yaml create mode 100644 env/sles15/x86_64/users/py-hiqsimulator/spack.yaml create mode 100644 env/sles15/x86_64/users/stable/spack.yaml diff --git a/env/sles15/x86_64/sysconfigs/compilers.yaml b/env/sles15/x86_64/sysconfigs/compilers.yaml new file mode 100644 index 0000000..eb4a7b0 --- /dev/null +++ b/env/sles15/x86_64/sysconfigs/compilers.yaml @@ -0,0 +1,62 @@ +compilers: +- compiler: + spec: cce@=17.0.0 + paths: + cc: cc + cxx: CC + f77: ftn + fc: ftn + flags: {} + operating_system: sles15 + target: x86_64 + modules: + - libfabric/1.15.2.0 + - PrgEnv-cray/8.5.0 + - cce/17.0.0 + environment: {} + extra_rpaths: [] +- compiler: + spec: gcc@=12.3 + paths: + cc: /usr/bin/gcc-12 + cxx: /usr/bin/g++-12 + f77: /usr/bin/gfortran-12 + fc: /usr/bin/gfortran-12 + flags: {} + operating_system: sles15 + target: x86_64 + modules: + - libfabric/1.15.2.0 + - PrgEnv-gnu/8.5.0 + - gcc-native/12.3 + environment: {} + extra_rpaths: [] +- compiler: + spec: gcc@=7.5.0 + paths: + cc: /usr/bin/gcc + cxx: /usr/bin/g++ + f77: /usr/bin/gfortran + fc: /usr/bin/gfortran + flags: {} + operating_system: sles15 + target: x86_64 + modules: + - libfabric/1.15.2.0 + environment: {} + extra_rpaths: [] +- compiler: + spec: nvhpc@=22.3 + paths: + cc: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvc + cxx: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvc++ + f77: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvfortran + fc: /opt/nvidia/hpc_sdk/Linux_x86_64/22.3/compilers/bin/nvfortran + flags: {} + operating_system: sles15 + target: x86_64 + modules: + - libfabric/1.15.2.0 + - nvhpc-nompi/22.3 + environment: {} + extra_rpaths: [] diff --git a/env/sles15/x86_64/sysconfigs/packages.yaml b/env/sles15/x86_64/sysconfigs/packages.yaml new file mode 100644 index 0000000..d67232c --- /dev/null +++ b/env/sles15/x86_64/sysconfigs/packages.yaml @@ -0,0 +1,230 @@ +packages: + all: + compiler: [gcc@12.3, cce, nvhpc] + providers: + blas: [cray-libsci, openblas, nvhpc] + lapack: [cray-libsci, openblas, nvhpc] + mpi: [cray-mpich, openmpi] + pkgconfig: [pkg-config] + scalapack: [cray-libsci] + target: [x86_64] + # Grace Hopper arch + variants: + - cuda_arch=90 + amrex: + require: '%gcc@7.5.0' + berkeley-db: + require: '%gcc@7.5.0' + boost: + require: '%gcc@7.5.0' + ca-certificates-mozilla: + require: '%gcc@7.5.0' + cairo: + require: '%gcc@7.5.0' + cmake: + require: '%gcc@7.5.0' + coreutils: + require: '%gcc@7.5.0' + cray-libsci: + buildable: false + externals: + - prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/ + spec: cray-libsci@23.12.5%cce@17.0.0 +mpi +openmp + - prefix: /opt/cray/pe/libsci/23.12.5/GNU/12.3/x86_64/ + spec: cray-libsci@23.12.5%gcc@12.3 +mpi +openmp + cray-mpich: + buildable: false + externals: + - modules: + - PrgEnv-cce/17.0.0 + - cray-mpich + spec: cray-mpich@8.1.28%cce@17.0.0 + - modules: + - PrgEnv-gnu/8.5.0 + - cray-mpich + spec: cray-mpich@8.1.28%gcc@12.3 + cray-pmi: + buildable: false + externals: + - modules: + - cray-pmi + spec: cray-pmi@6.1.13%gcc + ctffind: + require: '%gcc@7.5.0' + curl: + require: '%gcc@7.5.0' + expat: + require: '%gcc@7.5.0' + fftw: + externals: + - prefix: /opt/cray/pe/fftw/3.3.10.6/x86_64 + spec: fftw@3.3.10.6+mpi+openmp~pfft_patches precision=double,float%gcc@12.3 + findutils: + require: '%gcc@7.5.0' + flex: + require: '%gcc@7.5.0' + fltk: + require: '%gcc@7.5.0' + fontconfig: + require: '%gcc@7.5.0' + gawk: + require: '%gcc@7.5.0' + gcc: + require: '%gcc@7.5.0' + gdbm: + require: '%gcc@7.5.0' + gettext: + require: '%gcc@7.5.0' + git: + require: '%gcc@7.5.0' + gmake: + require: '%gcc@7.5.0' + groff: + require: '%gcc@7.5.0' + hdf5: + externals: + - prefix: /opt/cray/pe/hdf5/1.12.2.9/crayclang/17.0 + spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%cce@17.0.0 + - prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/crayclang/17.0 + spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%cce@17.0.0 + - prefix: /opt/cray/pe/hdf5/1.12.2.9/gnu/12.3 + spec: hdf5@1.12.2+cxx+fortran+hl~mpi+shared~szip~threadsafe%gcc@12.3 + - prefix: /opt/cray/pe/hdf5-parallel/1.12.2.9/gnu/12.3 + spec: hdf5@1.12.2+cxx+fortran+hl+mpi+shared~szip~threadsafe%gcc@12.3 + libbsd: + require: '%gcc@7.5.0' + libevent: + require: '%gcc@7.5.0' + # Crayism + libfabric: + buildable: false + externals: + - modules: + - libfabric/1.15.2.0 + spec: libfabric@1.15.2.0 + libiconv: + require: '%gcc@7.5.0' + libidn2: + require: '%gcc@7.5.0' + libmd: + require: '%gcc@7.5.0' + libpciaccess: + require: '%gcc@7.5.0' + libsigsegv: + require: '%gcc@7.5.0' + libtool: + require: '%gcc@7.5.0' + libxml2: + require: '%gcc@7.5.0' + llvm: + require: '%gcc@7.5.0' + m4: + require: '%gcc@7.5.0' + munge: + buildable: false + externals: + - prefix: /usr + spec: munge@0.5.15 + ncurses: + require: '%gcc@7.5.0' + netcdf-c: + externals: + - prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0 + spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%cce@17.0.0 + - prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/crayclang/17.0 + spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%cce@17.0.0 + - prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3 + spec: netcdf-c@4.9.0.9~dap~hdf4~jna~mpi~parallel-netcdf+shared%gcc@12.3 + - prefix: /opt/cray/pe/netcdf-hdf5parallel/4.9.0.9/gnu/12.3 + spec: netcdf-c@4.9.0.9~dap~hdf4~jna+mpi~parallel-netcdf+shared%gcc@12.3 + netcdf-fortran: + externals: + - prefix: /opt/cray/pe/netcdf/4.9.0.9/crayclang/17.0 + spec: netcdf-fortran@4.9.0.9~doc+shared%cce@17.0.0 + - prefix: /opt/cray/pe/netcdf/4.9.0.9/gnu/12.3 + spec: netcdf-fortran@4.9.0.9~doc+shared%gcc@12.3 + ninja: + require: '%gcc@7.5.0' + numactl: + require: '%gcc@7.5.0' + opal: + require: + - spec: '%gcc' + - message: Opal 2022.1.0 only builds with gcc@10.4.0 + spec: '%gcc@10.4.0 ^openmpi' + when: '@2022.1.0' + openblas: + require: '%gcc@7.5.0' + opengl: + require: '%gcc@7.5.0' + openldap: + buildable: false + externals: + - prefix: /usr + spec: openldap@2.4.46 + openmpi: + require: + - schedulers=slurm fabrics=ofi +pmi pmi-interface=cray +cxx +cxx_exceptions +cuda +legacylaunchers + openssh: + require: '%gcc@7.5.0' + openssl: + require: '%gcc@7.5.0' + parallel-netcdf: + externals: + - prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/crayclang/17.0 + spec: parallel-netcdf@1.12.3.9+cxx+fortran%cce@17.0.0 + - prefix: /opt/cray/pe/parallel-netcdf/1.12.3.9/gnu/12.3 + spec: parallel-netcdf@1.12.3.9+cxx+fortran%gcc@12.3 + perl: + buildable: false + externals: + - prefix: /usr + spec: perl@5.26.1 + pkg-config: + require: '%gcc@7.5.0' + pkgconf: + require: '%gcc@7.5.0' + py-fypp: + require: '%gcc@7.5.0' + python: + require: '%gcc@7.5.0' + # QE is unable to find out cray-libsci + quantum-espresso: + require: ~scalapack ^openblas + rdma-core: + require: '%gcc@7.5.0' + readline: + require: '%gcc@7.5.0' + slurm: + buildable: false + externals: + - prefix: /usr + spec: slurm@23-11-0-1 +pmix +hwloc +hdf5 +mariadb +pam + sqlite: + require: '%gcc@7.5.0' + tar: + require: '%gcc@7.5.0' + texinfo: + require: '%gcc@7.5.0' + unuran: + require: '%gcc@7.5.0' + util-linux-uuid: + require: '%gcc@7.5.0' + util-macros: + require: '%gcc@7.5.0' + xpmem: + buildable: false + externals: + - modules: + - xpmem/2.8.2-1.0_3.9__g84a27a5.shasta + spec: xpmem@2.8.2-1 + xxhash: + require: '%gcc@7.5.0' + xz: + externals: + - prefix: /usr + spec: xz@5.2.3 + zlib: + require: '%gcc@7.5.0' + zstd: + require: '%gcc@7.5.0' diff --git a/env/sles15/x86_64/users/ffbidx/spack.yaml b/env/sles15/x86_64/users/ffbidx/spack.yaml new file mode 100644 index 0000000..5186138 --- /dev/null +++ b/env/sles15/x86_64/users/ffbidx/spack.yaml @@ -0,0 +1,4 @@ +spack: + specs: + - ffbidx@main%gcc+python+simple_data_files+simple_data_indexer+test_all cuda_arch=60 + view: false diff --git a/env/sles15/x86_64/users/hyquas/spack.lock b/env/sles15/x86_64/users/hyquas/spack.lock new file mode 100644 index 0000000..f0c57b8 --- /dev/null +++ b/env/sles15/x86_64/users/hyquas/spack.lock @@ -0,0 +1,13699 @@ +{ + "_meta": { + "file-type": "spack-lockfile", + 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b/env/sles15/x86_64/users/hyquas/spack.yaml new file mode 100644 index 0000000..6b5941c --- /dev/null +++ b/env/sles15/x86_64/users/hyquas/spack.yaml @@ -0,0 +1,10 @@ +spack: + specs: + - git-lfs + - cmake@3.25.2%gcc@12.1.0 + - openmpi@4.1.5%gcc schedulers=slurm fabrics=auto +pmi +cxx +cxx_exceptions +cuda + +legacylaunchers ^slurm +pmix +hwloc +gtk +readline +restd +mariadb + - cuda@11.0.2 + - hyquas@main%gcc+cuda cuda_arch=70 ~mpi+schedule+use_double+micro_bench+eval_pp~disable_assert + backend=mix mat_size=7 + view: false diff --git a/env/sles15/x86_64/users/opal/spack.yaml b/env/sles15/x86_64/users/opal/spack.yaml new file mode 100644 index 0000000..cc08229 --- /dev/null +++ b/env/sles15/x86_64/users/opal/spack.yaml @@ -0,0 +1,9 @@ +spack: + repos: + - ../../ + specs: + - opal@master%gcc@11.3.0 + develop: + opal: + spec: opal@=master + path: /home/germann_e/OPAL/src/ diff --git a/env/sles15/x86_64/users/py-hiqsimulator/spack.yaml b/env/sles15/x86_64/users/py-hiqsimulator/spack.yaml new file mode 100644 index 0000000..af3f7fc --- /dev/null +++ b/env/sles15/x86_64/users/py-hiqsimulator/spack.yaml @@ -0,0 +1,5 @@ +spack: + specs: + - openmpi@4.1.5%gcc + - py-hiqsimulator@develop%gcc + view: false diff --git a/env/sles15/x86_64/users/stable/spack.yaml b/env/sles15/x86_64/users/stable/spack.yaml new file mode 100644 index 0000000..f905358 --- /dev/null +++ b/env/sles15/x86_64/users/stable/spack.yaml @@ -0,0 +1,17 @@ +spack: + concretizer: + unify: false + config: + allow_sgid: false + build_stage: + - $spack/user/$user/spack-stage + install_tree: + root: $spack/user/$user/spack-install + upstreams: + spack-instance-1: + install_tree: $spack/opt/spack/stable + include: + - ../../sysconfigs/packages.yaml + - ../../sysconfigs/compilers.yaml + specs: + view: false