Merge branch 'intel-gcc-compatibility' into 'releases/25a'

Intel gcc compatibility

See merge request !138

(cherry picked from commit 73a80456)

5d4c8527 Drop GCC 11 and Intel 2021.6, 2021.9
adbb6272 Merge branch 'drop_old_toolchains' into 'develop'
b87ffd0b Same autotools dependencies for intel 2021.9 and 2021.10 (same gcc version)
b4aa9261 Remove duplicated keys
4c7068e7 Pin older version of boost
4b641ca8 Fix syntax
4967e9a3 Python%gcc to avoid conflicts
6cd805fc Pin various versions and flags
08bd548b Fix CMake version
d3a46063 Intel MPI: use classic names
18b196f3 Apply 1 suggestion(s) to 1 file(s)

Co-authored-by: Martin Lang <martin.lang@mpsd.mpg.de>

toolchains/intel-2021_10_0-impi-2021_10_0/spack.yaml.jinja

 spack:
   definitions:
   - mpis:
-    - intel-oneapi-mpi@2021.10.0
+    - intel-oneapi-mpi@2021.10.0+classic-names
   - packages:
     - binutils@2.40+headers+ld
-    - autoconf@2.72
+    - autoconf@2.71
     - libtool@2.4.7
     - automake@1.16.5
-    - cmake@3.27.9
+    - cmake@3.26.6
     - ninja@1.11.1
     # octopus dependencies:
     - libxc@6.2.2+kxc
@@ -16,12 +16,12 @@ spack:
     - sparskit@develop
     - nlopt@2.7.1
     - libgd@2.3.3
-    - python@3.11.7
+    - python@3.11.4
     - cgal@5.6
     - dftbplus@23.1~arpack~gpu~mpi~sockets~transport+api+shared~openmp
     - perl-yaml@1.30
   - packages_with_mpi:
-    - intel-oneapi-mkl@2023.2.0+cluster threads=openmp ^intel-oneapi-tbb
+    - intel-oneapi-mkl
     - elpa@2023.11.001-patched+openmp
     - elpa@2023.11.001-patched~openmp
     - parmetis@4.0.3+int64
@@ -43,8 +43,16 @@ spack:
   packages:
     all:
       require: "%{{ fallback_compiler }}"
+    blas:
+      require: "intel-oneapi-mkl"
+    lapack:
+      require: "intel-oneapi-mkl"
+    cmake:
+      require: "@3.26.6"
+    ninja:
+      require: "@1.11.1"
     boost:
-      require: "%{{ toolchain_compiler }}"
+      require: "@1.84.0%{{ toolchain_compiler }}"
     gsl:
       require: "%{{ toolchain_compiler }}"
     sparskit:
@@ -80,7 +88,7 @@ spack:
     parmetis:
       require: "%{{ toolchain_compiler }}"
     intel-oneapi-mkl:
-      require: "%{{ toolchain_compiler }}"
+      require: "@2023.2.0%{{ toolchain_compiler }}+cluster threads=openmp ^intel-oneapi-tbb"
     intel-oneapi-tbb:
       require: "%{{ toolchain_compiler }}"
     intel-tbb:
@@ -91,3 +99,5 @@ spack:
       require: "%{{ toolchain_compiler }}"
     netcdf-c:
       require: "%{{ toolchain_compiler }}"
+    spglib:
+      require: "%{{ toolchain_compiler }}"

toolchains/intel-2021_10_0/spack.yaml.jinja

 spack:
   specs:
   - binutils@2.40+headers+ld
-  - autoconf@2.72
+  - autoconf@2.71
   - libtool@2.4.7
   - automake@1.16.5
   - cmake
   - ninja
-  - intel-oneapi-mkl@2023.2.0 threads=openmp
+  - intel-oneapi-mkl
   # octopus dependencies:
   - libxc@6.2.2+kxc
   - spglib@2.1.0
@@ -15,27 +15,31 @@ spack:
   - nlopt@2.7.1
   - libgd@2.3.3
   - cgal@5.6
-  - python@3.11.7
+  - python@3.11.4
   - hdf5@1.14.3~mpi
   - netcdf-fortran@4.6.1 ^netcdf-c~~mpi
   - etsf-io@1.0.4
   - bigdft-futile@1.9.3+shared~~mpi
   - bigdft-psolver@1.9.3+shared~~mpi~scalapack
   - dftbplus@23.1~arpack~gpu~mpi~sockets~transport+api+shared~openmp
-    - perl-yaml@1.30
+  - perl-yaml@1.30
   view: false
   concretizer:
-    unify: true
+    unify: when_possible
     reuse: false
   packages:
     all:
       require: "%{{ fallback_compiler }}"
+    blas:
+      require: "intel-oneapi-mkl"
+    lapack:
+      require: "intel-oneapi-mkl"
     cmake:
-      version: [3.27.9]
+      require: "@3.26.6"
     ninja:
-      version: [1.12.1]
+      require: "@1.11.1"
     boost:
-      require: "%{{ toolchain_compiler }}"
+      require: "@1.84.0%{{ toolchain_compiler }}"
     gsl:
       require: "%{{ toolchain_compiler }}"
     sparskit:
@@ -66,12 +70,10 @@ spack:
       require: "%{{ toolchain_compiler }}"
     bigdft-futile:
       require: "%{{ toolchain_compiler }}"
-    python:
-      require: "%{{ toolchain_compiler }}"
     parmetis:
       require: "%{{ toolchain_compiler }}"
     intel-oneapi-mkl:
-      require: "%{{ toolchain_compiler }}"
+      require: "@2023.2.0%{{ toolchain_compiler }} threads=openmp"
     intel-oneapi-tbb:
       require: "%{{ toolchain_compiler }}"
     intel-tbb: