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Commit 1749d998 authored by Ashwin Kumar Karnad's avatar Ashwin Kumar Karnad
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DFTB+ needs to be compiled without transport support for octopus

From Franco Bonafe
parent 8250f956
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1 merge request!4723b add missing packages
......@@ -33,7 +33,7 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2+mpi
- bigdft-psolver@1.9.2+mpi~cuda
- 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
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
......
......@@ -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
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
......
......@@ -25,7 +25,7 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2~mpi
- bigdft-psolver@1.9.2~mpi~scalapack
- 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
# - openblas@0.3.15
# - libpspio@0.2.4 # missing in spack
......
......@@ -33,7 +33,7 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2+mpi
- bigdft-psolver@1.9.2+mpi~cuda
- 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
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
......
......@@ -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
# - openblas@0.3.15
# - etsf-io@1.0.4
# - libpspio@0.2.4 # missing in spack
......
......@@ -26,7 +26,7 @@ spack:
- etsf-io@1.0.4
- bigdft-futile@1.9.2~mpi
- bigdft-psolver@1.9.2~mpi~scalapack
- 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
# - flexiblas@3.0.4
# - libpspio@0.2.4 # missing in spack
specs:
......
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