hlrs-spack/config-hlrs/packages.yaml

547 lines
12 KiB
YAML

packages:
all:
providers:
mpi: [cray-mpich]
blas: [cray-libsci]
lapack: [cray-libsci]
scalapack: [cray-libsci]
fftw-api: [cray-fftw]
pkgconfig: [pkg-config]
zlib-api: [zlib-ng+compat]
cray-mpich:
externals:
- spec: cray-mpich@8.1.30%gcc
prefix: /opt/cray/pe/mpich/8.1.30/ofi/gnu/12.3
modules:
- libfabric/1.15.2.0
- spec: cray-mpich@8.1.30%cce
prefix: /opt/cray/pe/mpich/8.1.30/ofi/cray/17.0
modules:
- libfabric/1.15.2.0
buildable: false
libfabric:
externals:
- spec: libfabric@1.15.2 fabrics=cxi,tcp,udp
prefix: /opt/cray/libfabric/1.15.2.0
buildable: false
cray-libsci:
externals:
- spec: cray-libsci@24.03.0%gcc
prefix: /opt/cray/pe/libsci/24.03.0/gnu/12.3/x86_64
modules:
- cray-libsci/24.03.0
- spec: cray-libsci@24.03.0%cce
prefix: /opt/cray/pe/libsci/24.03.0/cray/17.0/x86_64
modules:
- cray-libsci/24.03.0
buildable: false
python:
externals:
- spec: python@3.11
prefix: /opt/cray/pe/python/3.11.7
modules:
- cray-python/3.11.7
extra_attributes:
environment:
prepend_path: # on Redoak cray-python module does not set PYTHONPATH correctly
PYTHONPATH: /opt/cray/pe/python/3.11.7/lib/python3.11/site-packages
buildable: false
py-pip:
externals:
- spec: py-pip@23.2.1
modules:
- cray-python/3.11.7
py-setuptools:
externals:
- spec: py-setuptools@69.0.3
modules:
- cray-python/3.11.7
py-mpi4py:
externals:
- spec: py-mpi4py@3.1.4
modules:
- cray-python/3.11.7
py-numpy:
externals:
- spec: py-numpy@1.24.4
modules:
- cray-python/3.11.7
py-dask:
externals:
- spec: py-dask@2023.6.1
modules:
- cray-python/3.11.7
py-scipy:
externals:
- spec: py-scipy@1.10.1
modules:
- cray-python/3.11.7
py-pandas:
externals:
- spec: py-pandas@1.5.3
modules:
- cray-python/3.11.7
fftw:
externals:
- spec: fftw@3.3.10.7
prefix: /opt/cray/pe/fftw/3.3.10.7/x86_64
modules:
- cray-fftw/3.3.10.7
buildable: false
hdf5:
externals:
- spec: hdf5@1.14.3.1%cce
prefix: /opt/cray/pe/hdf5/1.14.3.1/cray/18.0
modules:
- cray-hdf5/1.14.3.1
- spec: hdf5@1.14.3.1%gcc
prefix: /opt/cray/pe/hdf5/1.14.3.1/gnu/12.3
modules:
- cray-hdf5/1.14.3.1
buildable: false
netcdf-c:
externals:
- spec: netcdf-c@4.9.0.13%cce
prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
modules:
- cray-netcdf/4.9.0.13
- spec: netcdf-c@4.9.0.13%gcc
prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
modules:
- cray-netcdf/4.9.0.13
buildable: false
netcdf-cxx4:
externals:
- spec: netcdf-cxx4@4.9.0.13%cce
prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
modules:
- cray-netcdf/4.9.0.13
- spec: netcdf-cxx4@4.9.0.13%gcc
prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
modules:
- cray-netcdf/4.9.0.13
buildable: false
netcdf-fortran:
externals:
- spec: netcdf-fortran@4.9.0.13%cce
prefix: /opt/cray/pe/netcdf/4.9.0.13/crayclang/18.0
modules:
- cray-netcdf/4.9.0.13
- spec: netcdf-fortran@4.9.0.13%gcc
prefix: /opt/cray/pe/netcdf/4.9.0.13/gnu/12.3
modules:
- cray-netcdf/4.9.0.13
buildable: false
parallel-netcdf:
externals:
- spec: parallel-netcdf@1.12.3.13%cce
prefix: /opt/cray/pe/parallel-netcdf/1.12.3.13/crayclang/18.0
modules:
- cray-parallel-netcdf/1.12.3.13
- spec: parallel-netcdf@1.12.3.13%gcc
prefix: /opt/cray/pe/parallel-netcdf/1.12.3.13/gnu/12.3
modules:
- cray-parallel-netcdf/1.12.3.13
buildable: false
# Rocm/hip packages
# `module load rocm` defaults to v5.5.1 in CPE 24.03, but MI300/gfx942 requires rocm/6+
rocsparse:
externals:
- spec: rocsparse@6.1.1
modules:
- rocm/6.1.1
buildable: false
hipsparse:
externals:
- spec: hipsparse@6.1.1
modules:
- rocm/6.1.1
buildable: false
hipsolver:
externals:
- spec: hipsolver@6.1.1
modules:
- rocm/6.1.1
buildable: false
hip:
externals:
- spec: hip@6.1.1
modules:
- rocm/6.1.1
buildable: false
hipblas:
externals:
- spec: hipblas@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocprofiler-dev:
externals:
- spec: rocprofiler-dev@6.1.1
modules:
- rocm/6.1.1
buildable: false
hiprand:
externals:
- spec: hiprand@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocblas:
externals:
- spec: rocblas@6.1.1
modules:
- rocm/6.1.1
buildable: false
hsa-rocr-dev:
externals:
- spec: hsa-rocr-dev@6.1.1
modules:
- rocm/6.1.1
buildable: false
llvm-amdgpu:
externals:
- spec: llvm-amdgpu@6.1.1
modules:
- rocm/6.1.1
prefix: /opt/rocm-6.1.1/llvm/
extra_attributes:
compilers:
c: /opt/rocm-6.1.1/llvm/bin/clang++
cxx: /opt/rocm-6.1.1/llvm/bin/clang++
buildable: false
rccl:
externals:
- spec: rccl@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocfft:
externals:
- spec: rocfft@6.1.1
modules:
- rocm/6.1.1
buildable: false
comgr:
externals:
- spec: comgr@6.1.1
modules:
- rocm/6.1.1
buildable: false
miopen-hip:
externals:
- spec: miopen-hip@6.1.1
modules:
- rocm/6.1.1
buildable: false
migraphx:
externals:
- spec: migraphx@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocsolver:
externals:
- spec: rocsolver@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocrand:
externals:
- spec: rocrand@6.1.1
modules:
- rocm/6.1.1
buildable: false
roctracer-dev:
externals:
- spec: roctracer-dev@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocm-smi-lib:
externals:
- spec: rocm-smi-lib@6.1.1
modules:
- rocm/6.1.1
buildable: false
miopen-opencl:
externals:
- spec: miopen-opencl@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocthrust:
externals:
- spec: rocthrust@6.1.1
modules:
- rocm/6.1.1
buildable: false
rocprim:
externals:
- spec: rocprim@6.1.1
modules:
- rocm/6.1.1
buildable: false
# Packages which have not been discovered by spack external find
# and packages which are not in the OS image but low-level.
# Declare libs as externals only if a -devel OS package is installed
elfutils:
externals:
- spec: elfutils@0.185
prefix: /usr
buildable: false
numactl:
externals:
- spec: numactl@2.0.14
prefix: /usr
buildable: false
libxml2:
require: '%gcc@7.5'
libdwarf:
require: '%gcc@7.5'
zstd:
require: '%gcc@7.5'
zlib: # zlib@1.2.11 is available but deprecated
require: '%gcc@7.5'
zlib-ng:
require: '%gcc@7.5'
xz:
require: '%gcc@7.5'
binutils:
require:
- '%gcc@7.5'
- '+libiberty'
dbus:
externals:
- spec: dbus@1.12.2
prefix: /usr
buildable: false
# packages which have been discovered by spack external find --all
# python: # not a -devel package
# externals:
# - spec: python@3.6.15+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat~pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib
# prefix: /usr
# buildable: false
curl:
externals:
- spec: curl@8.0.1+gssapi+ldap+nghttp2
prefix: /usr
buildable: false
dos2unix:
externals:
- spec: dos2unix@7.4.0
prefix: /usr
buildable: false
openssl:
externals:
- spec: openssl@1.1.1l
prefix: /usr
buildable: false
bzip2:
externals:
- spec: bzip2@1.0.8
prefix: /usr
buildable: false
gmake:
externals:
- spec: gmake@4.2.1
prefix: /usr
buildable: false
coreutils:
externals:
- spec: coreutils@8.32
prefix: /usr
buildable: false
openjdk:
externals:
- spec: openjdk@11.0.19_0-suse-150000.3.96.1-x8664
prefix: /usr
buildable: false
zip:
externals:
- spec: zip@3.0
prefix: /usr
buildable: false
cpio:
externals:
- spec: cpio@2.13
prefix: /usr
buildable: false
subversion:
externals:
- spec: subversion@1.14.1
prefix: /usr
buildable: false
lustre:
externals:
- spec: lustre@2.15.0.7_rc2_cray_25_ga33b7d9
prefix: /usr
buildable: false
bison:
externals:
- spec: bison@3.0.4
prefix: /usr
buildable: false
git:
externals:
- spec: git@2.35.3+tcltk
prefix: /usr
buildable: false
go:
externals:
- spec: go@1.18.10
prefix: /usr
buildable: false
hwloc:
externals:
- spec: hwloc@2.8.0
prefix: /usr
buildable: false
gnupg:
externals:
- spec: gnupg@2.2.27
prefix: /usr
buildable: false
rdma-core:
externals:
- spec: rdma-core@38.3
prefix: /usr
buildable: false
groff:
externals:
- spec: groff@1.22.4
prefix: /usr
buildable: false
ghostscript:
externals:
- spec: ghostscript@9.52
prefix: /usr
buildable: false
cvs:
externals:
- spec: cvs@1.12.13
prefix: /usr
buildable: false
go-bootstrap:
externals:
- spec: go-bootstrap@1.18.10
prefix: /usr
buildable: false
cmake:
externals:
- spec: cmake@3.20.4
prefix: /usr
buildable: false
ncurses:
externals:
- spec: ncurses@6.1.20180317+termlib abi=6
prefix: /usr
buildable: false
bash:
externals:
- spec: bash@4.4.23
prefix: /usr
buildable: false
pkg-config:
externals:
- spec: pkg-config@0.29.2
prefix: /usr
buildable: false
flex:
externals:
- spec: flex@2.6.4+lex
prefix: /usr
buildable: false
rsync:
externals:
- spec: rsync@3.2.3
prefix: /usr
buildable: false
sed:
externals:
- spec: sed@4.4
prefix: /usr
buildable: false
gettext:
externals:
- spec: gettext@0.20.2
prefix: /usr
buildable: false
automake:
externals:
- spec: automake@1.15.1
prefix: /usr
buildable: false
m4:
externals:
- spec: m4@1.4.18
prefix: /usr
buildable: false
which:
externals:
- spec: which@2.21
prefix: /usr
buildable: false
file:
externals:
- spec: file@5.32
prefix: /usr
buildable: false
perl:
externals:
- spec: perl@5.26.1~cpanm+opcode+open+shared+threads
prefix: /usr
buildable: false
ruby:
externals:
- spec: ruby@2.5.9
prefix: /usr
buildable: false
autoconf:
externals:
- spec: autoconf@2.69
prefix: /usr
buildable: false
gawk:
externals:
- spec: gawk@4.2.1
prefix: /usr
buildable: false
diffutils:
externals:
- spec: diffutils@3.6
prefix: /usr
buildable: false
tar:
externals:
- spec: tar@1.34
prefix: /usr
buildable: false
openssh:
externals:
- spec: openssh@8.4p1
prefix: /usr
buildable: false
sqlite:
require: '%gcc@7.5'
# externals:
# - spec: sqlite@3.39.3+fts~functions+rtree # does not provide include files
# prefix: /usr
# buildable: false
findutils:
externals:
- spec: findutils@4.8.0
prefix: /usr
buildable: false
libtool:
externals:
- spec: libtool@2.4.6
prefix: /usr
buildable: false
libfuse:
externals:
- spec: libfuse@2.9.7
prefix: /usr
- spec: libfuse@3.10.5
prefix: /usr
buildable: false