From 6d4045e0a8d1b4b4cac958e2aaeb23f788e67806 Mon Sep 17 00:00:00 2001
From: Martin Lang <martin.lang@mpsd.mpg.de>
Date: Thu, 5 Dec 2024 10:32:39 +0100
Subject: [PATCH] elpa~openmp and elpa+openmpi in all toolchains
---
.../gcc-11_5_0-openmpi-4_1_4-cuda-11_4/spack.yaml.jinja | 7 ++++---
toolchains/gcc-11_5_0-openmpi-4_1_4/spack.yaml.jinja | 7 ++++---
toolchains/gcc-12_3_0-openmpi-4_1_5/spack.yaml.jinja | 7 ++++---
toolchains/gcc-13_2_0-openmpi-4_1_6/spack.yaml.jinja | 7 ++++---
toolchains/gcc-14_2-openmpi-5_0_5/spack.yaml.jinja | 7 ++++---
toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja | 7 ++++---
toolchains/intel-2021_6_0-impi-2021_6_0/spack.yaml.jinja | 7 ++++---
toolchains/intel-2021_9_0-impi-2021_9_0/spack.yaml.jinja | 7 ++++---
toolchains/oneapi-2025_0_0-impi-2021_14_0/spack.yaml.jinja | 5 +++--
9 files changed, 35 insertions(+), 26 deletions(-)
diff --git a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-11_4/spack.yaml.jinja b/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-11_4/spack.yaml.jinja
index 7d3a3b1..8778f37 100644
--- a/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-11_4/spack.yaml.jinja
+++ b/toolchains/gcc-11_5_0-openmpi-4_1_4-cuda-11_4/spack.yaml.jinja
@@ -30,7 +30,8 @@ spack:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.1.0
# octopus dependencies:
- - elpa@2021.11.001+cuda cuda_arch=70 ^cuda@11.4+allow-unsupported-compilers # elpa@2020.05.001
+ - elpa@2021.11.001+openmp+cuda cuda_arch=70 ^cuda@11.4+allow-unsupported-compilers
+ - elpa@2021.11.001~openmp+cuda cuda_arch=70 ^cuda@11.4+allow-unsupported-compilers
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@3.0.1+mpi
- parmetis@4.0.3+int64
@@ -52,10 +53,10 @@ spack:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
- view: true
+ view: false
concretizer:
+ unify: when_possible
reuse: false
- unify: true
packages:
all:
require: "%{{ toolchain_compiler }}"
diff --git a/toolchains/gcc-11_5_0-openmpi-4_1_4/spack.yaml.jinja b/toolchains/gcc-11_5_0-openmpi-4_1_4/spack.yaml.jinja
index cbfb957..20ca152 100644
--- a/toolchains/gcc-11_5_0-openmpi-4_1_4/spack.yaml.jinja
+++ b/toolchains/gcc-11_5_0-openmpi-4_1_4/spack.yaml.jinja
@@ -29,7 +29,8 @@ spack:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.1.0
# octopus dependencies:
- - elpa@2021.11.001
+ - elpa@2021.11.001+openmp
+ - elpa@2021.11.001~openmp
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@3.0.1+mpi
- parmetis@4.0.3+int64
@@ -51,9 +52,9 @@ spack:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/gcc-12_3_0-openmpi-4_1_5/spack.yaml.jinja b/toolchains/gcc-12_3_0-openmpi-4_1_5/spack.yaml.jinja
index 3f30b98..036a220 100644
--- a/toolchains/gcc-12_3_0-openmpi-4_1_5/spack.yaml.jinja
+++ b/toolchains/gcc-12_3_0-openmpi-4_1_5/spack.yaml.jinja
@@ -29,7 +29,8 @@ spack:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.2.0
# octopus dependencies:
- - elpa@2023.05.001
+ - elpa@2023.05.001+openmp
+ - elpa@2023.05.001~openmp
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@3.0.1+mpi
- parmetis@4.0.3+int64
@@ -51,9 +52,9 @@ spack:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/gcc-13_2_0-openmpi-4_1_6/spack.yaml.jinja b/toolchains/gcc-13_2_0-openmpi-4_1_6/spack.yaml.jinja
index 572a95f..bbed5c6 100644
--- a/toolchains/gcc-13_2_0-openmpi-4_1_6/spack.yaml.jinja
+++ b/toolchains/gcc-13_2_0-openmpi-4_1_6/spack.yaml.jinja
@@ -29,7 +29,8 @@ spack:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.2.0
# octopus dependencies:
- - elpa@2023.11.001-patched
+ - elpa@2023.11.001-patched+openmp
+ - elpa@2023.11.001-patched~openmp
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@3.1.0+mpi
- parmetis@4.0.3+int64
@@ -51,9 +52,9 @@ spack:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/gcc-14_2-openmpi-5_0_5/spack.yaml.jinja b/toolchains/gcc-14_2-openmpi-5_0_5/spack.yaml.jinja
index 167a915..a23f19d 100644
--- a/toolchains/gcc-14_2-openmpi-5_0_5/spack.yaml.jinja
+++ b/toolchains/gcc-14_2-openmpi-5_0_5/spack.yaml.jinja
@@ -29,7 +29,8 @@ spack:
- fftw@3.3.10+openmp+mpi+pfft_patches
- netlib-scalapack@2.2.0
# octopus dependencies:
- - elpa@2024.03.001
+ - elpa@2024.03.001+openmp
+ - elpa@2024.03.001~openmp
- libvdwxc@0.4.0+mpi+pfft
- berkeleygw@4.0+mpi
- parmetis@4.0.3+int64
@@ -51,9 +52,9 @@ spack:
- [$packages_with_mpi]
- [$^mpis]
- [$%compilers]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja b/toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja
index 53e982d..1ad48aa 100644
--- a/toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja
+++ b/toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja
@@ -21,7 +21,8 @@ spack:
- dftbplus@23.1~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- packages_with_mpi:
- intel-oneapi-mkl@2023.2.0+cluster threads=openmp ^intel-oneapi-tbb
- - elpa@2023.11.001-patched
+ - elpa@2023.11.001-patched+openmp
+ - elpa@2023.11.001-patched~openmp
- parmetis@4.0.3+int64
- hdf5@1.14.3+mpi
- netcdf-fortran@4.6.1 ^netcdf-c+mpi
@@ -34,9 +35,9 @@ spack:
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/intel-2021_6_0-impi-2021_6_0/spack.yaml.jinja b/toolchains/intel-2021_6_0-impi-2021_6_0/spack.yaml.jinja
index 8fe7ed7..eec5bfb 100644
--- a/toolchains/intel-2021_6_0-impi-2021_6_0/spack.yaml.jinja
+++ b/toolchains/intel-2021_6_0-impi-2021_6_0/spack.yaml.jinja
@@ -21,7 +21,8 @@ spack:
- dftbplus@21.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- packages_with_mpi:
- intel-oneapi-mkl@2022.1.0+cluster threads=openmp
- - elpa@2021.11.001
+ - elpa@2021.11.001+openmp
+ - elpa@2021.11.001~openmp
- parmetis@4.0.3+int64
- hdf5@1.12.2+mpi
- netcdf-fortran@4.6.0 ^netcdf-c+mpi
@@ -34,9 +35,9 @@ spack:
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/intel-2021_9_0-impi-2021_9_0/spack.yaml.jinja b/toolchains/intel-2021_9_0-impi-2021_9_0/spack.yaml.jinja
index 61ba799..b684707 100644
--- a/toolchains/intel-2021_9_0-impi-2021_9_0/spack.yaml.jinja
+++ b/toolchains/intel-2021_9_0-impi-2021_9_0/spack.yaml.jinja
@@ -21,7 +21,8 @@ spack:
- dftbplus@22.2~arpack~gpu~mpi~sockets~transport+api+shared~openmp
- packages_with_mpi:
- intel-oneapi-mkl@2023.1.0+cluster threads=openmp ^intel-oneapi-tbb
- - elpa@2023.05.001
+ - elpa@2023.05.001+openmp
+ - elpa@2023.05.001~openmp
- parmetis@4.0.3+int64
- hdf5@1.14.0+mpi
- netcdf-fortran@4.6.1 ^netcdf-c+mpi
@@ -34,9 +35,9 @@ spack:
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- view: true
+ view: false
concretizer:
- unify: true
+ unify: when_possible
reuse: false
packages:
all:
diff --git a/toolchains/oneapi-2025_0_0-impi-2021_14_0/spack.yaml.jinja b/toolchains/oneapi-2025_0_0-impi-2021_14_0/spack.yaml.jinja
index a2b7020..ffd3f35 100644
--- a/toolchains/oneapi-2025_0_0-impi-2021_14_0/spack.yaml.jinja
+++ b/toolchains/oneapi-2025_0_0-impi-2021_14_0/spack.yaml.jinja
@@ -23,7 +23,8 @@ spack:
- packages_with_mpi:
- intel-oneapi-mkl@2025.0.0+cluster threads=openmp ^intel-oneapi-tbb
- parmetis@4.0.3+int64
- #- elpa@2024.03.001
+ #- elpa@2024.03.001+openmp
+ #- elpa@2024.03.001~openmp
- hdf5@1.14.5+mpi
- netcdf-fortran@4.6.1 ^netcdf-c+mpi
#- bigdft-futile@1.9.5+shared+mpi
@@ -35,7 +36,7 @@ spack:
- matrix:
- [$packages_with_mpi]
- [$^mpis]
- view: true
+ view: false
concretizer:
unify: when_possible
reuse: false
--
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