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Commit 33860765 authored by Nicolas Richart's avatar Nicolas Richart
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Chassing the reduction of number of pythons

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1 merge request!3Feat/stack pinot noir
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stacks/pinot-noir/config.json
+ 6
− 1
View file @ 33860765
......@@ -75,7 +75,6 @@
"gdbm",
"gettext",
"git",
"glib",
"gmake",
"gmp",
"gnuplot",
......@@ -89,13 +88,17 @@
"libfuse",
"libidn2",
"libpciaccess",
"libpng",
"libsigsegv",
"libssh2",
"libtiff",
"libtool",
"libunistring",
"libuuid",
"libx11",
"libxcrypt",
"libxct",
"libxft",
"libxml2",
"lz4",
"m4",
......@@ -117,7 +120,9 @@
"slurm",
"sqlite",
"tar",
"tcl",
"texinfo",
"tk",
"utf8proc",
"util-linux-uuid",
"xpmem",
......
stacks/pinot-noir/packages.yaml
+ 4
− 0
View file @ 33860765
......@@ -15,6 +15,10 @@ packages:
uuid: [libuuid]
zlib-api: [zlib-ng+compat]
require:
- spec: '^libuuid'
when: '^uuid'
glibc:
prefer: ['%gcc@11.2.1']
......
stacks/pinot-noir/packages_kuma_h100.yaml
+ 5
− 0
View file @ 33860765
......@@ -50,6 +50,11 @@ packages:
require:
- spec: '+cuda cuda_arch=90 +nccl +cudnn'
python:
require:
- spec: 'target=zen4'
when: '%gcc@12.3.0'
quantum-espresso:
require:
- spec: '~cuda'
......
stacks/pinot-noir/packages_stack.yaml
+ 36
− 1
View file @ 33860765
......@@ -31,9 +31,15 @@ packages:
- spec: '+allow-unsupported-compilers'
when: '%oneapi'
curl:
require: ['tls=openssl']
emacs:
prefer: ['+tls', '+X', 'toolkit=athena']
expat:
prefer: ['libbsd']
fenics-dolfinx:
require: ['+slepc']
......@@ -79,6 +85,9 @@ packages:
require:
- spec: 'fabrics=mlx,mrail,psm3,verbs,udp,tcp,sockets,shm'
libffi:
prefer: ['@3.4.6']
libxcb:
require: ['+use_spack_interpreter']
......@@ -90,6 +99,9 @@ packages:
# avoid compiler in lmod module
prefer: ['~clang']
m4:
require: ['+sigsegv']
mesa:
require: ['~llvm', '+opengl', '+opengles', '+osmesa']
......@@ -107,7 +119,10 @@ packages:
openmpi:
require:
- spec: '@5.0.3 fabrics=ofi,ucx,verbs schedulers=slurm ~rsh +romio romio-filesystem=gpfs +internal-pmix ~memchecker'
- spec: '@5.0.3 fabrics=ofi,ucx,verbs schedulers=slurm ~rsh +romio romio-filesystem=gpfs +internal-pmix'
openssl:
prefer: ['+shared', 'certs=system', '~docs']
pango:
prefer: [~X]
......@@ -121,6 +136,9 @@ packages:
- spec: '+ssl +tkinter +crypt +bz2 +pyexpat +libxml2 +ctypes +uuid'
- spec: '+optimizations'
when: '%gcc'
prefer:
- spec: '%gcc@12.3.0'
when: '%gcc'
py-numpy:
prefer: ['@1.26.4']
......@@ -131,6 +149,12 @@ packages:
py-torch:
require: ['+mpi']
py-scipy:
require: ['@1.13.0']
py-setuptools:
require: ['@63.4.3']
scotch:
prefer: ['~mpi']
......@@ -158,6 +182,17 @@ packages:
- spec: 'egl@21.3.4'
prefix: /usr
meson:
externals:
- spec: 'meson@0.58.2'
prefix: /usr
ninja:
buildable: false
externals:
- spec: 'ninja@1.10.2'
prefix: /usr
pmix:
buildable: false
externals:
......
stacks/pinot-noir/spack.yaml
+ 58
− 44
View file @ 33860765
......@@ -59,11 +59,10 @@ spack:
- lmod
- mpfr
- neovim
- ninja
#- ninja
- parallel
- picard
- rclone
- rust
- sbt
- sratoolkit
- subversion
......@@ -79,42 +78,38 @@ spack:
# Serial codes
# -------------------------------------------------------------------------
- serial_codes:
- fftw +openmp ~mpi
- fftw ~openmp ~mpi
- fftw +openmp ~~mpi
- fftw ~~openmp ~~mpi
- gsl
- hdf5@1.14.1 ~mpi
- hisat2
- hdf5@1.14.1 ~~mpi
- htslib
- intel-oneapi-tbb
- jasper
- kallisto ^hdf5 ~mpi
- kallisto ^hdf5 ~~mpi
- kokkos
- kokkos-kernels
- mafft
- metis
- muscle
- netcdf-c~mpi ^hdf5~mpi
- netcdf-fortran ^netcdf-c ~mpi ^hdf5 ~mpi
- nfft ^fftw~mpi~openmp
- netcdf-c ~~mpi
- netcdf-fortran ^netcdf-c ~~mpi
- nfft ^fftw~~mpi~~openmp
- python
- scotch ~mpi
- scotch ~~mpi
- star
- subread
- unblur ^fftw~mpi~openmp
- unblur ^fftw~~mpi ~~openmp
- voropp
- gcc_serial_codes:
- bwa
- cistem ^fftw~mpi
- ctffind ^fftw ~mpi
- eigen
- ffmpeg +libx264
- glpk+gmp
- hwloc
- imagemagick +ghostscript
- intel-oneapi-mkl
- libxc
- ncview ^hdf5 ~mpi ^netcdf-c ~mpi ~parallel-netcdf
- ncview ^netcdf-c ~~mpi ~parallel-netcdf
- sox
- stacks
......@@ -135,12 +130,12 @@ spack:
# Blas dependent codes
# -------------------------------------------------------------------------
- blas_codes:
- arpack-ng ~mpi
- arpack-ng ~~mpi
- superlu
- suite-sparse
- gcc_blas_codes:
- armadillo +hdf5 ^arpack-ng ~mpi ^hdf5 ~mpi
- armadillo +hdf5 ^arpack-ng ~~mpi ^hdf5 ~~mpi
- octave
# -------------------------------------------------------------------------
......@@ -190,8 +185,8 @@ spack:
- snakemake
- python_blas_codes:
- boost ~mpi
#- gmsh ~mpi +hdf5 +cgns +eigen ~opencascade +openmp ~fltk ~med
- boost ~~mpi
#- gmsh ~~mpi +hdf5 +cgns +eigen ~opencascade +openmp ~fltk ~med
- iq-tree
- py-biopython
- py-keras-preprocessing
......@@ -207,15 +202,19 @@ spack:
- gcc_python_codes:
- blast-plus
- caffe +python
- cistem ^fftw~~mpi
- ctffind ^fftw ~~mpi
- gatk
- gdb +tui +source-highlight +xz
- hisat2
- imagemagick +ghostscript
- julia+openlibm
- libgd
- mesa
- mummer
- node-js
- openbabel +python ^boost ~mpi
- r
- openbabel ++python ^boost ~~mpi
- rust
- spades
- xgboost
......@@ -223,71 +222,74 @@ spack:
- polymake ^cddlib@0.94h
- py-cryolobm
- py-deeptools
- py-h5py ~mpi ^hdf5 ~mpi
- py-h5py ~~mpi
- py-pymol
- py-scikit-learn
- py-scipy
- py-statsmodels
#- py-statsmodels
- py-theano
- r
# -------------------------------------------------------------------------
# Parallel codes
# -------------------------------------------------------------------------
- mpi_codes:
- fftw +mpi +openmp
- hdf5@1.14.3 +mpi
- fftw ++mpi +openmp
- hdf5@1.14.3 ++mpi
- openfoam-org +metis
- osu-micro-benchmarks +graphing
- parmetis
- phylobayesmpi
- py-mpi4py
- scotch +mpi
- scotch ++mpi
- netcdf-c
- netcdf-fortran
- parmetis
- mpi_python_codes:
- py-mpi4py
- gcc_mpi_codes:
- wrf ~pnetcdf build_type=dm+sm
- mpi_blas_codes:
- arpack-ng +mpi
- arpack-ng ++mpi
- hypre@2.31.0
- mumps@5.6.2
- superlu-dist@8.2.1
#- quantum-espresso +mpi +scalapack +gipaw
#- quantum-espresso +mpi +scalapack +gipaw hdf5=parallel
#- quantum-espresso ++mpi +scalapack +gipaw
#- quantum-espresso ++mpi +scalapack +gipaw hdf5=parallel
- gcc_mpi_blas_codes:
- armadillo +hdf5 ^arpack-ng +mpi ^hdf5 +mpi
- gmsh +mpi +eigen +openmp +hdf5 ~fltk ~opencascade ~med ^mmg ~vtk
- armadillo +hdf5 ^arpack-ng ++mpi ^hdf5 ++mpi
- gmsh ++mpi +eigen +openmp +hdf5 ~fltk ~opencascade ~med ^mmg ~vtk
- cpmd ~openmp
- elmerfem +mumps +openmp +hypre
- netlib-scalapack
- yambo +mpi io=iotk,etsf-io
- yambo ++mpi io=iotk,etsf-io
- mpi_blas_python_codes:
- boost +mpi
- boost ++mpi
- cgal
- iq-tree@1.6.12+mpi
- neuron +mpi +python
- iq-tree@1.6.12++mpi
- neuron ++mpi +python
- petsc@3.21.1
- plumed
- py-petsc4py
- slepc
- gcc_mpi_blas_python_codes:
# - eman2 +mpi
# - eman2 ++mpi
- adios2
- cp2k +mpi +plumed +openmp smm=blas
- cp2k ++mpi +plumed +openmp smm=blas
# - fenics +parmetis +hdf5 +scotch +suite-sparse ~vtk ~trilinos
- fenics-dolfinx
- gromacs +mpi +plumed
- gromacs ++mpi +plumed
- lammps
- opencv
- openfoam +metis
- paraview +shared +python +hdf5 +opengl2
- py-fenics-dolfinx
- py-h5py +mpi
- py-h5py ++mpi
- py-horovod
- py-keras
- py-tensorflow
......@@ -395,6 +397,12 @@ spack:
- [$^mpi_gcc]
- [$%compiler_gcc]
- matrix:
- [$mpi_python_codes]
- [$^python_gcc]
- [$^mpi_gcc]
- [$%compiler_gcc]
- matrix:
- [$gcc_mpi_codes]
- [$^mpi_gcc]
......@@ -413,16 +421,16 @@ spack:
- matrix:
- [$mpi_blas_python_codes]
- [$^python_gcc]
- [$^blas_gcc]
- [$^mpi_gcc]
- [$^python_gcc]
- [$%compiler_gcc]
- matrix:
- [$gcc_mpi_blas_python_codes]
- [$^python_gcc]
- [$^blas_gcc]
- [$^mpi_gcc]
- [$^python_gcc]
- [$%compiler_gcc]
# --------------------------------------------------------------------------
......@@ -463,6 +471,12 @@ spack:
- [$^mpi_oneapi]
- [$%compiler_oneapi]
- matrix:
- [$mpi_python_codes]
- [$^python_oneapi]
- [$^mpi_oneapi]
- [$%compiler_oneapi]
- matrix:
- [$mpi_blas_codes]
- [$^blas_oneapi]
......@@ -471,9 +485,9 @@ spack:
- matrix:
- [$mpi_blas_python_codes]
- [$^python_oneapi]
- [$^blas_oneapi]
- [$^mpi_oneapi]
- [$^python_oneapi]
- [$%compiler_oneapi]
view: false
......
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