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modules:
default:
enable: [lmod]
lmod:
hash_length: 0
core_compilers:
- gcc@11.4.1
hierarchy:
- mpi
all:
environment:
set:
${PACKAGE}_ROOT: ${PREFIX}
suffixes:
'+mpi': mpi
'+openmp': openmp
'threads=openmp': openmp
'^fftw+openmp': openmp
'hdf5=parallel': h5
'+cuda': cuda
'+double-gpu': double-gpu
'+plumed': plumed
'+unwind': unwind
'+debug': dbg
'+ilp64': int64
'+int64': int64
'version_suffix=jl': julia
blacklist_implicits: true
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gcc:
environment:
set:
CC: ${PREFIX}/bin/gcc
CXX: ${PREFIX}/bin/g++
F77: ${PREFIX}/bin/gfortran
FC: ${PREFIX}/bin/gfortran
F90: ${PREFIX}/bin/gfortran
cuda@12.4.0:
environment:
append_path:
JULIA_LOAD_PATH: ":/ssoft/spack/external/julia/syrah.v1/cuda"
openmpi:
environment:
set:
SLURM_MPI_TYPE: pmi2
OMPI_MCA_btl_openib_warn_default_gid_prefix: '0'
append_path:
JULIA_LOAD_PATH: ":/ssoft/spack/external/julia/syrah.v1/mpi"
openblas threads=pthreads:
environment:
set:
OPENBLAS_NUM_THREADS: '1'
hdf5~mpi+cxx:
environment:
set:
HDF5_CC: h5cc
HDF5_CXX: h5c++
HDF5_FC: h5fc
hdf5+mpi~cxx:
environment:
set:
HDF5_CC: h5pcc
HDF5_FC: h5pfc
intel-oneapi-mpi:
environment:
set:
I_MPI_PMI_LIBRARY: /usr/lib64/libpmi2.so
I_MPI_EXTRA_FILESYSTEM: '0'
SLURM_MPI_TYPE: pmi2
julia:
autoload: direct
metis:
suffixes:
~real64: sp
molpro:
template: modules/group_restricted.lua
plumed:
environment:
set:
PLUMED_KERNEL: ${PREFIX}/lib/libplumedKernel.so
unset:
- PLUMED_ROOT
py-horovod:
autoload: direct
py-keras:
autoload: direct
py-tensorflow:
autoload: direct
py-theano:
autoload: direct
py-torch:
autoload: direct
py-torchvision:
autoload: direct
quantum-espresso:
suffixes:
hdf5=parallel: hdf5
scala:
autoload: direct
scons:
suffixes:
'^python@:2.99': py2
'^python@3:': py3
abaqus:
template: modules/group_restricted.lua
adf:
template: modules/group_restricted.lua
ams:
template: modules/group_restricted.lua
comsol:
environment:
prepend_path:
MATLABPATH: ${PREFIX}/mli
crystal17:
template: modules/group_restricted.lua
fdtd:
environment:
prepend_path:
PATH: ${PREFIX}/mpich2/nemesis/bin
LD_LIBRARY_PATH: ${PREFIX}/mpich2/nemesis/lib
set:
SLURM_MPI_TYPE: pmi2
gaussian:
template: modules/group_restricted.lua
spark:
autoload: direct
environment:
prepend_path:
PATH: /ssoft/spack/scripts/all/spark
ucx:
environment:
unset:
- UCX_ROOT
vasp:
template: modules/group_restricted.lua