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'