packages:
all:
target: ["{target}"]
prefer: ['target={target}']
require:
- spec: '+ipo'
when: '%gcc'
# ----------------------------------------------------------------------------
# Requirements
# ----------------------------------------------------------------------------
adios2:
require: ['+kokkos', '+mgard', '~zfp']
apr:
# https://issues.apache.org/jira/browse/SVN-4813
require: ['@1.6.2']
arpack-ng:
prefer: ['+mpi']
boost:
prefer: ['~mpi']
require:
- 'cxxstd=14'
- '+icu'
- '+atomic'
- '+chrono'
- '+container'
- '+date_time'
- '+filesystem'
- '+graph'
- '+iostreams'
- '~json'
- '+locale'
- '+log'
- '+math'
- '~pic'
- '+program_options'
- '+random'
- '+regex'
- '+serialization'
- '+shared'
- '+signals'
- '~singlethreaded'
- '~stacktrace'
- '+system'
- '~taggedlayout'
- '+test'
- '+thread'
- '+timer'
- '~type_erasure'
- '~versionedlayout'
- '+wave'
- '+exception'
- spec: '+python +numpy'
when: '%gcc'
- spec: '+python +numpy'
when: '%oneapi'
- spec: '+python ~numpy'
when: '%nvhpc'
cairo:
# ~X avoids a dependency to python (only prefer due to gtkplus)
prefer: ['~X', '+svg']
require: ['+fc', '+ft', '+pdf', '+gobject']
cmake:
prefer: ['~ncurses', '^curl tls=mbedtls']
costa:
require: ['~apps']
cp2k:
require: ['~ipo']
curl:
require:
- '@8.7.1'
- '+nghttp2'
- '+libidn2'
- '+libssh2'
- one_of: ['tls=openssl', 'tls=mbedtls']
prefer:
- 'tls=mbedtls'
dbcsr:
require: ['smm=blas']
emacs:
prefer: ['+tls', '+X', 'toolkit=athena']
expat:
prefer: ['libbsd']
fenics-dolfinx:
require: ['@0.8.0', '+slepc']
ffmpeg:
require: ['+libx264']
fftw:
prefer: ['+mpi', '+openmp']
gettext:
require: ['+libxml2', '+xz']
gnuplot:
require: ['@5.4.10', '+cairo']
hdf5:
prefer:
- spec: '@1.14.3'
require:
- spec: '+hl +threadsafe +szip +cxx +fortran'
- spec: '+ipo'
when: '%gcc'
- spec: 'target={target}'
when: '%gcc@{gcc_version}'
hwloc:
require: ["+libxml2", "+pci"]
hypre:
prefer:
- spec: '@2.31.0 ~magma'
intel-oneapi-mkl:
prefer: ['~cluster']
ior:
require: ['+hdf5']
julia:
require: ['@1.10.4']
kokkos:
require: ['+numactl', '+memkind', '+serial',
'+openmp', '~openmptarget',
'~threads', '~sycl',
'+aggressive_vectorization', '@4.3.01']
kokkos-kernels:
require: ['@4.3.01', '+openmp', '~threads', '~ipo']
kokkos-nvcc-wrapper:
prefer: ['@4.3.01']
lammps:
require: ['@20230802.3',
'build_type=Release', '+asphere', '+atc', '+body', '+class2',
'+colloid', '+compress', '+coreshell', '+dipole', '+diffraction',
'+extra-dump', '+granular', '+h5md', '+kspace', '+latboltz',
'+lib', '+manybody', '+mc', '+misc', '+molecule',
'+mpi', '+netcdf', '+peri', '~poems', '+python', '+qeq',
'+replica ', '+rigid', '+shock', '+ml-snap', '+srd', '+voronoi',
'+plumed', '+kokkos']
libfabric:
require:
- spec: 'fabrics=mlx,mrail,psm3,verbs,udp,tcp,sockets,shm'
libffi:
require: ['@3.4.6']
libpressio:
require: ['~qoz', '~sz3']
libssh2:
prefer: ['crypto=openssl']
libtiff:
require: ['build_system=cmake', '+pic', '+shared', '+jpeg']
libtool:
require: ['@2.4.6']
libxc:
require: ['build_system=cmake', '+shared']
libxcb:
require: ['+use_spack_interpreter']
libxkbcommon:
require: ['~wayland']
libxml2:
# python depends on libxml2 this avoid cyclic dependency
require: ['~python']
likwid:
require: ['@5.3.0']
llvm:
# avoid compiler in lmod module
prefer: ['~clang']
require:
- spec: '~cuda'
when: '@15:'
m4:
require: ['+sigsegv']
magma:
# https://groups.google.com/a/icl.utk.edu/g/magma-user/c/l2XWTKmuBH0
require: ['~ipo']
mbedtls:
prefer: ['@3.3.0', 'libs=shared,static']
memkind:
require: ['%gcc']
mesa:
require: ['~llvm', '+opengl', '+opengles', '+osmesa']
meson:
prefer: ['@1.2.1']
metis:
require: ['+real64']
mgard:
require: ['~cuda']
mpfr:
require: ['@4.0.2']
mumps:
require: ['+openmp', '+metis', '+parmetis']
netcdf-c:
prefer: ['+mpi']
opari2:
require: ['%gcc']
openblas:
require: ['build_system=makefile']
prefer: ['threads=openmp', 'symbol_suffix=none', '~ilp64']
opencv:
prefer: ['+vtk', '+python3']
openmpi:
require: ['@5.0.3',
'fabrics=ofi,ucc,ucx,verbs',
'schedulers=slurm',
'+romio', 'romio-filesystem=gpfs',
'+internal-pmix', '~rsh',
'~memchecker']
openssl:
prefer: ['+shared', 'certs=system', '~docs']
otf2:
require: ['%gcc']
pango:
prefer: ['~X']
papi:
require:
- '+powercap'
- '+rapl'
- any_of: ['%gcc', '%oneapi']
petsc:
require: ['+hypre', '+mumps', '+saws', '+scalapack', '+mpi', '+hdf5',
'+suite-sparse', '+kokkos', '+openmp', '+superlu-dist']
python:
require:
- '@3.11.7'
- '+ssl'
- '+tkinter'
- '+crypt'
- '+bz2'
- '+pyexpat'
- '+libxml2'
- '+ctypes'
- '+uuid'
- '+sqlite3'
- spec: '+optimizations'
when: '%gcc'
prefer:
- spec: '%gcc@{gcc_version}'
when: '%gcc'
py-cppy:
require: ['@1.2.1']
py-cython:
require:
- one_of: ['@0.29.36', '@3.0.8']
prefer: ['@3.0.8']
py-python-dateutil:
require: ['@2.8.2']
py-fenics-dolfinx:
require: ['@0.8.0']
py-horovod:
require: ['frameworks=pytorch,keras,tensorflow', 'controllers=mpi', 'tensor_ops=nccl']
py-kiwisolver:
require: ['@1.4.5']
py-matplotlib:
require: ['@3.3.4']
py-mpmath:
require: ['@1.2.1']
py-numpy:
prefer: ['@1.26.4']
py-pandas:
prefer: ['@2.2.1']
py-pillow:
prefer: ['@9.5.0', '+jpeg']
py-pysam:
prefer: ['@0.22.1']
# https://github.com/tensorflow/tensorflow/issues/63360#issuecomment-2142735122
# MKL support seams not maintained
py-tensorflow:
require: ['+mpi', '~mkl']
py-torch:
require: ['@2.3.1', '+mpi', '~valgrind']
py-scipy:
require: ['@1.13.0']
py-setuptools:
require: ['@63.4.3']
py-virtualenv:
require: ['@20.24.5']
qt:
require: ['@5.15.2']
quantum-espresso:
require: ['+mpi', '+openmp', '~gipaw', '+scalapack', '+libxc', '~ipo']
prefer: ['hdf5=parallel']
rust:
require: ['+dev']
scotch:
prefer: ['~mpi']
require: ['build_system=cmake']
sirius:
prefer: ['+fortran', '~elpa', '+wannier90']
require: ['+openmp']
slepc:
require:
- spec: '^arpack-ng +mpi'
spades:
require: ['~ipo']
suite-sparse:
require:
- '+graphblas'
- one_of: ['@7.3.1', '@7.2.1']
prefer: ['@7.3.1']
superlu:
require: ['@5.3.0']
tk:
require: ['+xft', '+xss']
ucx:
require: ['@1.17.0',
'+rdmacm',
'+rc', '+dc', '+ud',
'+cma', '+dm',
'+verbs', '+mlx5_dv', '+ib_hw_tm']
vtk:
require:
- spec: '~python ++mpi +xdmf +ffmpeg'
xmlto:
require: ['@0.0.29']
# ----------------------------------------------------------------------------
# System dependencies
# ----------------------------------------------------------------------------
egl:
buildable: false
externals:
- spec: 'egl@21.3.4'
prefix: /usr
ninja:
buildable: false
externals:
- spec: 'ninja@1.10.2'
prefix: /usr
opengl:
buildable: false
externals:
- spec: 'opengl@4.6'
prefix: /usr
pmix:
buildable: false
externals:
- spec: 'pmix@5.0.1'
prefix: /usr
rdma-core:
buildable: false
externals:
- spec: 'rdma-core@47.1'
prefix: /usr
slurm:
buildable: false
externals:
- spec: 'slurm@23-11-7-1'
prefix: /usr
# ----------------------------------------------------------------------------
# Externals
# ----------------------------------------------------------------------------
abaqus:
buildable: false
permissions: {read: group, group: abaqus-soft}
externals:
- {spec: abaqus@2019, prefix: /ssoft/spack/external/abaqus/2019}
- {spec: abaqus@2023, prefix: /ssoft/spack/external/abaqus/2023}
ansys:
buildable: false
externals:
- {spec: ansys@2020R2, prefix: /ssoft/spack/external/ansys/2020R2/v202}
- {spec: ansys@2022R1, prefix: /ssoft/spack/external/ansys/2022R1/v221}
- {spec: ansys@2022R2, prefix: /ssoft/spack/external/ansys/2022R2/v222}
- {spec: ansys@2024R1, prefix: /ssoft/spack/external/ansys/2024R1/v241}
- {spec: ansys@2024R2, prefix: /ssoft/spack/external/ansys/2024R2/v242}
cfdplusplus:
buildable: false
externals:
- {spec: cfdplusplus@16.1, prefix: /ssoft/spack/external/CFD++/2016.05}
- {spec: cfdplusplus@19.1, prefix: /ssoft/spack/external/CFD++/19.1}
comsol:
buildable: false
permissions: {read: group, group: comsol-soft}
externals:
- {spec: comsol@5.6, prefix: /ssoft/spack/external/comsol/5.6/comsol56/multiphysics/}
- {spec: comsol@6.0, prefix: /ssoft/spack/external/comsol/6.0}
- {spec: comsol@6.2, prefix: /ssoft/spack/external/comsol/6.2}
fdtd:
buildable: false
permissions: {read: group, group: ansys-soft}
externals:
- {spec: fdtd@2020-R2-2387, prefix: /ssoft/spack/external/fdtd/8.24.2387}
- {spec: fdtd@2020-R2.4-2502, prefix: /ssoft/spack/external/fdtd/2020-R2.4-2502}
- {spec: fdtd@2021-R2.2-2806, prefix: /ssoft/spack/external/fdtd/2021-R2.2-2806}
- {spec: fdtd@2022-R1.1-2963, prefix: /ssoft/spack/external/fdtd/2022-R1.1-2963}
- {spec: fdtd@2024-R2.3-3941, prefix: /ssoft/spack/external/fdtd/2024-R2.3-3941}
gaussian:
buildable: false
externals:
- {spec: gaussian@g16-A.03, prefix: /ssoft/spack/external/gaussian/g16-A.03/avx2}
- {spec: gaussian@g16-C.01, prefix: /ssoft/spack/external/gaussian/g16-C.01/avx2}
maple:
buildable: false
externals:
- {spec: maple@2017, prefix: /ssoft/spack/external/Maple/2017}
mathematica:
buildable: false
externals:
- {spec: mathematica@11.1.1, prefix: /ssoft/spack/external/Mathematica/11.1.1}
- {spec: mathematica@13.0, prefix: /ssoft/spack/external/Mathematica/13.0}
matlab:
buildable: false
externals:
- {spec: matlab@R2018a, prefix: /ssoft/spack/external/MATLAB/R2018a}
- {spec: matlab@R2019b, prefix: /ssoft/spack/external/MATLAB/R2019b}
- {spec: matlab@R2024a, prefix: /ssoft/spack/external/MATLAB/R2024a}
molpro:
buildable: false
externals:
- {spec: molpro@2022.3.0, prefix: /ssoft/spack/external/molpro/2022.3.0/mpi}
smr:
buildable: false
externals:
- {spec: smr@2017.0, prefix: /ssoft/spack/external/SMR/2017.06}
totalview:
buildable: false
externals:
- {spec: totalview@2017.2.11, prefix: /ssoft/spack/external/toolworks/totalview.2017.2.11}
- {spec: totalview@2020.3.11, prefix: /ssoft/spack/external/toolworks/totalview.2020.3.11}