diff --git a/toolchains/foss2021a-cuda-mpi/spack.yaml b/toolchains/foss2021a-cuda-mpi/spack.yaml index 5e446ecdb3bb9ffefd1d6c3cf16d95c62fee4805..1958084a667a51638320e3803526dc6961a765b3 100644 --- a/toolchains/foss2021a-cuda-mpi/spack.yaml +++ b/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 diff --git a/toolchains/foss2021a-mpi/spack.yaml b/toolchains/foss2021a-mpi/spack.yaml index 81f2d1dddf489debe03991248f40f71d2a74df58..b1285d0be67b03d536df75036c9531ec982890ca 100644 --- a/toolchains/foss2021a-mpi/spack.yaml +++ b/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 diff --git a/toolchains/foss2022a-cuda-mpi/spack.yaml b/toolchains/foss2022a-cuda-mpi/spack.yaml index b01f24960b4f9b597718dff8af61cc378ca41073..60fe996f86c13587901b823c3fe0aa2f8765f9bc 100644 --- a/toolchains/foss2022a-cuda-mpi/spack.yaml +++ b/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 diff --git a/toolchains/foss2022a-mpi/spack.yaml b/toolchains/foss2022a-mpi/spack.yaml index 09510ff13fac965694344154c5c20bcd19dea56d..44e92735b58e2b8cd461bb788c696bfe9279104a 100644 --- a/toolchains/foss2022a-mpi/spack.yaml +++ b/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