diff --git a/toolchains/foss2021a-cuda-mpi/spack.yaml b/toolchains/foss2021a-cuda-mpi/spack.yaml
index 76b655de66b9ca8844af52e455984b82292ce583..3088c2e134f7ff5d897d3484c74b69a76982e76e 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 cuda_arch=70 ^cuda@11.4
- - dftbplus@19.1+mpi+dftd3+gpu ^magma+cuda
+ - dftbplus@21.2~arpack~dftd3~elsi+gpu+mpi+sockets+transport+api+sharedlibs~openmp ^magma+cuda
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
diff --git a/toolchains/foss2021a-mpi/spack.yaml b/toolchains/foss2021a-mpi/spack.yaml
index 2023dbe54bb7211d4f3bbf6ea93496cbf24ca55c..799aba551545ab1cb1c44fa78ed3984e98acf768 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@19.1+mpi+dftd3
+ - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi+sockets+transport+api+sharedlibs~openmp
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
diff --git a/toolchains/foss2021a-serial/spack.yaml b/toolchains/foss2021a-serial/spack.yaml
index 988cc7b68f27912cadcf110e4299b95e510092d1..2f0924e74d45d9a76e99a6ec7cec8a75502a0118 100644
--- a/toolchains/foss2021a-serial/spack.yaml
+++ b/toolchains/foss2021a-serial/spack.yaml
@@ -25,7 +25,8 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2~mpi
- bigdft-psolver@1.9.2~mpi~scalapack
- - dftbplus@19.1+dftd3~mpi
+ - dftbplus@21.2~arpack+dftd3~elsi~gpu~mpi+sockets+transport+api+sharedlibs~openmp
+
# - openblas@0.3.15
# - libpspio@0.2.4 # missing in spack
specs:
diff --git a/toolchains/foss2022a-cuda-mpi/spack.yaml b/toolchains/foss2022a-cuda-mpi/spack.yaml
index d2d5198dea0834232eac8935a40f123076772113..132628c73465ef15f55bbab4581905a658236fa6 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 cuda_arch=70 ^cuda@11.4
- - dftbplus@19.1+mpi+dftd3+gpu ^magma+cuda
+ - dftbplus@21.2~arpack~dftd3~elsi+gpu+mpi+sockets+transport+api+sharedlibs~openmp ^magma+cuda
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
diff --git a/toolchains/foss2022a-mpi/spack.yaml b/toolchains/foss2022a-mpi/spack.yaml
index 1de3c21e6f092fccf2b0f9bc345fa7bf611ce013..3d9a865752cf75d01999f64ab9a8798cf3726062 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@19.1+mpi+dftd3
+ - dftbplus@21.2~arpack~dftd3~elsi~gpu+mpi+sockets+transport+api+sharedlibs~openmp
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
diff --git a/toolchains/foss2022a-serial/spack.yaml b/toolchains/foss2022a-serial/spack.yaml
index 5ee9449070d3e13a74f15974795ed9bed20acaba..d11648d299e8a99363c876628c91c6a55a668827 100644
--- a/toolchains/foss2022a-serial/spack.yaml
+++ b/toolchains/foss2022a-serial/spack.yaml
@@ -26,7 +26,7 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2~mpi
- bigdft-psolver@1.9.2~mpi~scalapack
- - dftbplus@19.1+dftd3~mpi
+ - dftbplus@21.2~arpack+dftd3~elsi~gpu~mpi+sockets+transport+api+sharedlibs~openmp
# - flexiblas@3.0.4
# - libpspio@0.2.4 # missing in spack
specs: