packages:
all:
require:
- spec: '+ipo'
when: '%gcc'
# ----------------------------------------------------------------------------
# Requirements
# ----------------------------------------------------------------------------
adios2:
require: ['+kokkos']
arpack-ng:
prefer: ['+mpi']
boost:
prefer: ['~mpi']
require: ['cxxstd=14', '+icu', '+python', '+numpy', '+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']
cairo:
# ~X avoids a dependency to python (only prefer due to gtkplus)
prefer: ['~X']
cuda:
require:
- spec: '@12.4.0'
- spec: '+allow-unsupported-compilers'
when: '%oneapi'
emacs:
prefer: ['+tls', '+X', 'toolkit=athena']
fenics-dolfinx:
require: ['+slepc']
fftw:
prefer: ['+mpi', '+openmp']
gnuplot:
require:
- spec: '@5.4.10'
hdf5:
prefer:
- spec: '+mpi'
- spec: '@1.14.3'
require:
- spec: '+hl +threadsafe +szip +cxx +fortran'
- spec: '+ipo'
when: '%gcc'
hypre:
prefer:
- spec: '@2.31.0 ~magma'
intel-oneapi-mkl:
prefer: ['~cluster']
kokkos:
prefer: ['+openmp', '+numactl', '+memkind', '~threads',
'+aggressive_vectorization']
kokkos-kernel:
prefer: ['+openmp', '~threads']
lammps:
require: ['build_type=Release', '+asphere', '+atc', '+body', '+class2',
'+colloid', '+compress', '+coreshell', '+dipole', '+diffraction', '+extra-dump',
'+granular', '+h5md', '+kspace', '+latboltz', '+latte', '+lib', '+manybody',
'+mc', '+misc', '+molecule', '+mpi', '+mpiio', '+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'
libxcb:
require: ['+use_spack_interpreter']
libxml2:
# python depends on libxml2 this avoid cyclic dependency
require: ['~python']
llvm:
# avoid compiler in lmod module
prefer: ['~clang']
mesa:
require: ['~llvm', '+opengl', '+opengles', '+osmesa']
metis:
require: ['+real64']
netcdf-c:
prefer: ['+mpi']
openblas:
prefer: ['threads=pthreads symbol_suffix=none ~ilp64']
opencv:
prefer: ['+vtk', '+python3']
openmpi:
require:
- spec: '@5.0.3 fabrics=ofi,ucx,verbs schedulers=slurm ~rsh +romio romio-filesystem=gpfs +internal-pmix ~memchecker'
pango:
prefer: [~X]
petsc:
require:
- spec: '+hypre +mumps +saws +scalapack +mpi +suite-sparse +kokkos'
python:
require:
- spec: '+ssl +tkinter +crypt +bz2 +pyexpat +libxml2 +ctypes +uuid'
- spec: '+optimizations'
when: '%gcc'
py-numpy:
prefer: ['@1.26.4']
py-tensorflow:
require: ['+mpi', '+mkl']
py-torch:
require: ['+mpi']
scotch:
prefer: ['~mpi']
slepc:
require:
- spec: '^arpack-ng +mpi'
suite-sparse:
require:
- spec: '+graphblas'
tk:
require: ['+xft', '+xss']
ucx:
require:
- spec: '+rdmacm +rc +dc +ud +cma +verbs'
# ----------------------------------------------------------------------------
# System dependencies
# ----------------------------------------------------------------------------
egl:
buildable: false
externals:
- spec: 'egl@21.3.4'
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}
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: fdtd-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}
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}
gurobi:
buildable: false
externals:
- {spec: gurobi@8.1.1, prefix: /ssoft/spack/external/gurobi/8.1.1}
- {spec: gurobi@9.5.2, prefix: /ssoft/spack/external/gurobi/9.5.2}
- {spec: gurobi@10.0.1, prefix: /ssoft/spack/external/gurobi/10.0.1}
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:
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}