Feat/stack pinot noir

stacks/pinot-noir/packages_stack.yaml

 packages:
   all:
-    providers:
-      mpi: [openmpi, intel-oneapi-mpi]
-      iconv: [libiconv]
-      jpeg: [libjpeg]
-      zlib-api: [zlib-ng]
+    target: ["{target}"]
+    prefer: ['target={target}']
+
     require:
       - spec: '+ipo'
         when: '%gcc'
 
+      - spec: '^netlib-scalapack'
+        when: '%gcc ^scalapack'
+
   # ----------------------------------------------------------------------------
   # Requirements
   # ----------------------------------------------------------------------------
   adios2:
-    require: ['+kokkos']
+    require: ['+kokkos', '+mgard']
+
+  apr:
+    # https://issues.apache.org/jira/browse/SVN-4813
+    require: ['@1.6.2']
+
+  arpack-ng:
+    prefer: ['+mpi']
 
   boost:
     prefer: ['~mpi']
@@ -24,25 +32,55 @@ packages:
     '+system', '~taggedlayout', '+test', '+thread', '+timer', '~type_erasure',
     '~versionedlayout', '+wave', '+exception']
 
+  cairo:
+    # ~X avoids a dependency to python (only prefer due to gtkplus)
+    prefer: ['~X', '+svg']
+    require: ['+fc', '+ft', '+pdf', '+gobject']
+
+  cmake:
+    prefer: ['~ncurses']
+
+  costa:
+    require: ['~apps']
+
+  cp2k:
+    require: ['~ipo']
+
   cuda:
     require:
-    - spec: '@12.4.0'
     - spec: '+allow-unsupported-compilers'
       when: '%oneapi'
 
+  curl:
+    require:
+    - '+nghttp2'
+    - '+libidn2'
+    - '+libssh2'
+    - one_of: ['tls=openssl', 'tls=mbedtls']
+
+  emacs:
+    prefer: ['+tls', '+X', 'toolkit=athena']
+
+  expat:
+    prefer: ['libbsd']
+
   fenics-dolfinx:
-    require: ['+slepc']
+    require: ['@0.8.0', '+slepc']
+
+  ffmpeg:
+    require: ['+libx264']
 
   fftw:
     prefer: ['+mpi', '+openmp']
 
+  gettext:
+    require: ['+libxml2', '+xz']
+
   gnuplot:
-    require:
-    - spec: '@5.4.10'
+    require: ['@5.4.10', '+cairo']
 
   hdf5:
     prefer:
-    - spec: '+mpi'
     - spec: '@1.14.3'
     require:
     - spec: '+hl +threadsafe +szip +cxx +fortran'
@@ -56,79 +94,212 @@ packages:
   intel-oneapi-mkl:
     prefer: ['~cluster']
 
+  julia:
+    require: ['@1.10.4']
+
   kokkos:
-    prefer: ['+openmp', '+numactl', '+memkind', '+threads',
-    '+aggressive_vectorization']
+    require: ['+numactl', '+memkind', '+serial',
+              '+openmp', '~openmptarget',
+              '~threads', '~sycl',
+              '+aggressive_vectorization', '@4.3.01']
+
+  kokkos-kernels:
+    require: ['@4.3.01', '+openmp', '~threads', '~ipo']
 
-  kokkos-kernel:
-    prefer: ['+openmp', '+threads']
+  kokkos-nvcc-wrapper:
+    prefer: ['@4.3.01']
 
   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']
+    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'
 
-  llvm:
-    prefer: ['~clang']
+  libffi:
+    require: ['@3.4.6']
+
+  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']
 
+  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']
+
   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']
 
   openblas:
-    prefer: ['threads=pthreads symbol_suffix=none ~ilp64']
+    require: ['build_system=makefile']
+    prefer: ['threads=openmp', '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'
+    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']
+
+  pango:
+    prefer: [~X]
+
+  papi:
+    require: ['+powercap', '+rapl']
 
   petsc:
-    require:
-    - spec: '+hypre +mumps +saws +scalapack +mpi +suite-sparse +kokkos'
+    require: ['+hypre', '+mumps', '+saws', '+scalapack', '+mpi', '+suite-sparse', '+kokkos', '+openmp']
 
   python:
     require:
-    - spec: '+ssl +tkinter'
+    - spec: '+ssl +tkinter +crypt +bz2 +pyexpat +libxml2 +ctypes +uuid ~sqlite3'
     - spec: '+optimizations'
       when: '%gcc'
+    prefer:
+    - spec: '%gcc@13.2.0'
+      when: '%gcc'
+
+  py-cython:
+    require:
+    - one_of: ['@0.29.36', '@3.0.8']
+    prefer: ['@3.0.8']
+
+  py-fenics-dolfinx:
+    require: ['@0.8.0']
+
+  py-horovod:
+    require: ['frameworks=pytorch,keras,tensorflow', 'controllers=mpi', 'tensor_ops=nccl']
+
+  py-mpmath:
+    require: ['@1.2.1']
+
+  py-numpy:
+    prefer: ['@1.26.4']
 
+  py-pandas:
+    prefer: ['@2.2.1']
+
+  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']
+    require: ['+mpi', '~mkl']
 
   py-torch:
-    require: ['+mpi']
+    require: ['@2.3.1', '+mpi', '~valgrind']
+
+  py-scipy:
+    require: ['@1.13.0']
+
+  py-setuptools:
+    require: ['@63.4.3']
+
+  qt:
+    require: ['@5.15.2']
+
+  quantum-espresso:
+    require: ['+mpi', '+openmp', '~gipaw', '+scalapack', '+libxc', '~ipo']
+    prefer: ['hdf5=parallel']
+
+  rust:
+    require: ['+dev']
 
   scotch:
     prefer: ['~mpi']
 
+  sirius:
+    prefer: ['+fortran', '~elpa', '+wannier90']
+
+  slepc:
+    require:
+    - spec: '^arpack-ng +mpi'
+
+  spades:
+    require: ['~ipo']
+
   suite-sparse:
     require:
-    - spec: '+graphblas'
+      - '+graphblas'
+      - one_of: ['@7.3.1', '@7.2.1']
+    prefer: ['@7.3.1']
 
   tk:
     require: ['+xft', '+xss']
 
   ucx:
+    require: ['@1.17.0', '+rdmacm', '+rc', '+dc', '+ud', '+cma', '+verbs']
+
+  vtk:
     require:
-    - spec: '+rdmacm +rc +dc +ud +cma +verbs'
+    - spec: '~python ++mpi +xdmf +ffmpeg'
+
+  xmlto:
+    require: ['@0.0.29']
 
   # ----------------------------------------------------------------------------
   # System dependencies
@@ -139,6 +310,18 @@ packages:
     - 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:
@@ -157,7 +340,6 @@ packages:
     - spec: 'slurm@23-11-7-1'
       prefix: /usr
 
-
   # ----------------------------------------------------------------------------
   # Externals
   # ----------------------------------------------------------------------------