From 0f52f725cb5039904be1d97d3ce96df87114e3b2 Mon Sep 17 00:00:00 2001
From: Nicolas Richart <nicolas.richart@epfl.ch>
Date: Wed, 26 Jun 2024 16:32:57 +0200
Subject: [PATCH] Adding configs and missing files
---
stacks/pinot-noir/definitions_helvetios.yaml | 1 +
stacks/pinot-noir/packages_jed.yaml | 16 ++++++-------
stacks/pinot-noir/packages_stack.yaml | 24 ++++++++++++++------
stacks/pinot-noir/spack.yaml | 12 ++++++----
4 files changed, 34 insertions(+), 19 deletions(-)
create mode 100644 stacks/pinot-noir/definitions_helvetios.yaml
diff --git a/stacks/pinot-noir/definitions_helvetios.yaml b/stacks/pinot-noir/definitions_helvetios.yaml
new file mode 100644
index 0000000..ca4ba7f
--- /dev/null
+++ b/stacks/pinot-noir/definitions_helvetios.yaml
@@ -0,0 +1 @@
+definitions: []
diff --git a/stacks/pinot-noir/packages_jed.yaml b/stacks/pinot-noir/packages_jed.yaml
index d70bcd7..9426e21 100644
--- a/stacks/pinot-noir/packages_jed.yaml
+++ b/stacks/pinot-noir/packages_jed.yaml
@@ -4,7 +4,7 @@ packages:
require:
- "~rocm"
- - spec: cuda_arch=90 target=icelake
+ - spec: cuda_arch=89,90 target=icelake
when: '+cuda'
- spec: '~cuda'
@@ -16,21 +16,21 @@ packages:
# ---------------------------------------------------------------------------
hypre:
require:
- - spec: '+cuda cuda_arch=90'
+ - spec: '+cuda cuda_arch=89,90'
when: '%gcc'
openmpi:
require:
- - spec: 'fabrics=hcoll +cuda cuda_arch=90 target=icelake'
+ - spec: 'fabrics=hcoll +cuda cuda_arch=89,90 target=icelake'
petsc:
require:
- - spec: '+cuda cuda_arch=90'
+ - spec: '+cuda cuda_arch=89,90'
when: '%gcc'
-# py-torch:
-# require:
-# - spec: '+cuda cuda_arch=90 +nccl'
+ py-torch:
+ require:
+ - spec: '+cuda cuda_arch=89,90 +nccl +cudnn'
quantum-espresso:
require:
@@ -38,7 +38,7 @@ packages:
ucx:
require:
- - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=90 target=icelake ~rocm'
+ - spec: '+xpmem +cma +rdmacm +rc +ud +dc +verbs +ib_hw_tm +vfs +gdrcopy +cuda cuda_arch=89,90 target=icelake ~rocm'
# ---------------------------------------------------------------------------
# Externals
diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml
index c125cf4..759843b 100644
--- a/stacks/pinot-noir/packages_stack.yaml
+++ b/stacks/pinot-noir/packages_stack.yaml
@@ -115,7 +115,7 @@ packages:
petsc:
require:
- - spec: '+hypre +mumps +saws +scalapack +mpi'
+ - spec: '+hypre +mumps +saws +scalapack +mpi +suite-sparse'
python:
require:
@@ -123,6 +123,10 @@ packages:
- spec: '+optimizations'
when: '%gcc'
+ suite-sparse:
+ require:
+ - spec: '@7.3.1'
+
tk:
require: ['+xft', '+xss']
@@ -135,20 +139,26 @@ packages:
# ----------------------------------------------------------------------------
# System dependencies
# ----------------------------------------------------------------------------
- rdma-core:
+ egl:
buildable: false
externals:
- - spec: 'rdma-core@47.1'
+ - spec: 'egl@21.3.4'
prefix: /usr
- slurm:
+ pmix:
buildable: false
externals:
- - spec: 'slurm@23-11-7-1'
+ - spec: 'pmix@5.0.1'
prefix: /usr
- pmix:
+ rdma-core:
buildable: false
externals:
- - spec: 'pmix@5.0.1'
+ - spec: 'rdma-core@47.1'
+ prefix: /usr
+
+ slurm:
+ buildable: false
+ externals:
+ - spec: 'slurm@23-11-7-1'
prefix: /usr
diff --git a/stacks/pinot-noir/spack.yaml b/stacks/pinot-noir/spack.yaml
index 5341663..186e795 100644
--- a/stacks/pinot-noir/spack.yaml
+++ b/stacks/pinot-noir/spack.yaml
@@ -63,6 +63,7 @@ spack:
- parallel
- picard
- rclone
+ - rust
- sbt
- sratoolkit
- subversion
@@ -114,7 +115,6 @@ spack:
- intel-oneapi-mkl
- libxc
- ncview ^hdf5 ~mpi ^netcdf-c ~mpi ~parallel-netcdf
- - rust
- sox
- stacks
@@ -272,15 +272,20 @@ spack:
- slepc
- gcc_mpi_blas_python_codes:
- #- eman2 +mpi
+ # - eman2 +mpi
- adios2
- cp2k +mpi +plumed +openmp smm=blas
- - fenics +parmetis +hdf5 +scotch +suite-sparse ~vtk ~trilinos
+ # - fenics +parmetis +hdf5 +scotch +suite-sparse ~vtk ~trilinos
+ - fenics-dolfinx +slepc
- gromacs +mpi +plumed
- lammps 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
- opencv +vtk +python3
- openfoam +metis
- paraview +shared +python +hdf5 ~osmesa +opengl2 +egl
+ - py-fenics-basix
+ - py-fenics-dolfinx
+ - py-fenics-ffcx
+ - py-fenics-ufl
- py-h5py
- py-horovod
- py-keras
@@ -320,7 +325,6 @@ spack:
- $mpi_oneapi
- $mpi_gcc
-
specs:
- matrix:
- [$compilers_specs]
--
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