diff --git a/octopus/foss2021a-cuda-mpi-config.sh b/octopus/foss2021a-cuda-mpi-config.sh index 278784ef381dee2a1104da0f7da9709b8837aa51..6c8c4da60db3836b63fa603a390d3c77d63987c8 100644 --- a/octopus/foss2021a-cuda-mpi-config.sh +++ b/octopus/foss2021a-cuda-mpi-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/octopus/foss2021a-mpi-config.sh b/octopus/foss2021a-mpi-config.sh index 9b5935c816cf7943c2e570dae38ebf337df976b2..6d237a827b31b869bebf756ea0d9311f157217e2 100644 --- a/octopus/foss2021a-mpi-config.sh +++ b/octopus/foss2021a-mpi-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/octopus/foss2021a-serial-config.sh b/octopus/foss2021a-serial-config.sh index 35fda8933d4c7214a47b5a8dbad2dea4f688fd80..93738793fd8992f599ce67f1bc57e81c88dfc73f 100644 --- a/octopus/foss2021a-serial-config.sh +++ b/octopus/foss2021a-serial-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/octopus/foss2022a-cuda-mpi-config.sh b/octopus/foss2022a-cuda-mpi-config.sh index 278784ef381dee2a1104da0f7da9709b8837aa51..6c8c4da60db3836b63fa603a390d3c77d63987c8 100644 --- a/octopus/foss2022a-cuda-mpi-config.sh +++ b/octopus/foss2022a-cuda-mpi-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/octopus/foss2022a-mpi-config.sh b/octopus/foss2022a-mpi-config.sh index 9b5935c816cf7943c2e570dae38ebf337df976b2..6d237a827b31b869bebf756ea0d9311f157217e2 100644 --- a/octopus/foss2022a-mpi-config.sh +++ b/octopus/foss2022a-mpi-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/octopus/foss2022a-serial-config.sh b/octopus/foss2022a-serial-config.sh index dfcfc18243fc28ef0f3ec758c7f67e9bd41cd275..57c5d57bca53985a0da0f5ccbf056cfc1ff26c35 100644 --- a/octopus/foss2022a-serial-config.sh +++ b/octopus/foss2022a-serial-config.sh @@ -11,7 +11,8 @@ export LDFLAGS=`echo ${LIBRARY_PATH:+:$LIBRARY_PATH} | sed -e 's/:/ -Wl,-rpath=/ # HG: help configure to find the ELPA F90 modules MPSD_ELPA_VERSION=`expr match $MPSD_ELPA_ROOT '.*/elpa-\([0-9.]\+\)'` -[ -n "$MPSD_ELPA_VERSION" ] && FCFLAGS="$FCFLAGS -I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +[ -n "$MPSD_ELPA_VERSION" ] && export FCFLAGS_ELPA="-I$MPSD_ELPA_ROOT/include/elpa_openmp-$MPSD_ELPA_VERSION/modules" +export LIBS_ELPA="-L$MPSD_ELPA_ROOT/lib -lelpa_openmp" # HG: always keep options in the order listed by ``configure --help`` ../configure \ diff --git a/spack_setup.sh b/spack_setup.sh index bc65a811710e985900d8200c474fe1743aef1de3..6511bbcd9e455fb224f5f98663662b7b8fa6d842 100755 --- a/spack_setup.sh +++ b/spack_setup.sh @@ -183,23 +183,11 @@ install_missing_terminfo() { done } -elpa_openmp_octopus_workaround() { - local elpa_specs=$(spack find --no-groups --format '{name}@{version}/{hash}' elpa) || return 0 - [[ "$elpa_specs" =~ ^[[:alpha:]] ]] || return 0 - echo "${C_MSG}#####${C_RESET} adding elpa_openmp octopus workaround for '$elpa_specs'" - local elpa_spec - for elpa_spec in $elpa_specs; do - local lib_dir="$(spack location -i $elpa_spec)/lib/" - [ -e $lib_dir/libelpa.so ] && continue - [ -e $lib_dir/libelpa_openmp.so ] && ln -nsvf $lib_dir/libelpa_openmp.so $lib_dir/libelpa.so - done -} postprocess_spack_time=0 postprocess_spack() { local func_start_time=$(time_elapsed 0) install_missing_terminfo - elpa_openmp_octopus_workaround update_buildcache echo "${C_MSG}#####${C_RESET} (Re-)Creating module files" $color_spack module lmod refresh -y