use non mpi version for DFTB+

toolchains/foss2021a-cuda-mpi/spack.yaml

@@ -33,7 +33,7 @@ spack:
     - etsf-io@1.0.4
     - bigdft-futile@1.9.2+mpi
     - bigdft-psolver@1.9.2+mpi~cuda  # octopus does not use cuda variant
-    - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi~sockets~transport+api+sharedlibs~openmp  # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant)
+    - dftbplus@21.2~arpack~dftd3~elsi~gpu~mpi~sockets~transport+api+sharedlibs~openmp # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion
     - perl-yaml@1.27
     # - openblas@0.3.15
     # - libpspio@0.2.4  # missing in spack

toolchains/foss2021a-mpi/spack.yaml

@@ -32,7 +32,7 @@ spack:
     - etsf-io@1.0.4
     - bigdft-futile@1.9.2+mpi
     - bigdft-psolver@1.9.2+mpi
-    - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi~sockets~transport+api+sharedlibs~openmp
+    - dftbplus@21.2~arpack~dftd3~elsi~gpu~mpi~sockets~transport+api+sharedlibs~openmp  # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion
     - perl-yaml@1.27
     # - openblas@0.3.15
     # - libpspio@0.2.4  # missing in spack

toolchains/foss2022a-cuda-mpi/spack.yaml

@@ -33,7 +33,7 @@ spack:
     - etsf-io@1.0.4
     - bigdft-futile@1.9.2+mpi
     - bigdft-psolver@1.9.2+mpi~cuda  # octopus does not use cuda variant
-    - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi~sockets~transport+api+sharedlibs~openmp # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant)
+    - dftbplus@21.2~arpack~dftd3~elsi~gpu~mpi~sockets~transport+api+sharedlibs~openmp # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion
     - perl-yaml@1.27
     # - openblas@0.3.15
     # - libpspio@0.2.4  # missing in spack

toolchains/foss2022a-mpi/spack.yaml

@@ -32,7 +32,7 @@ spack:
     - etsf-io@1.0.4
     - bigdft-futile@1.9.2+mpi
     - bigdft-psolver@1.9.2+mpi
-    - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi~sockets~transport+api+sharedlibs~openmp
+    - dftbplus@21.2~arpack~dftd3~elsi~gpu~mpi~sockets~transport+api+sharedlibs~openmp  # non gpu and non openmp variant based on the easybuild configuration (octopus does not use gpu variant) non mpi based on Franco's suggestion
     - perl-yaml@1.27
     # - openblas@0.3.15
     # - libpspio@0.2.4  # missing in spack