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