diff --git a/src/config/makefile.h b/src/config/makefile.h index 23b66394c9..957f0a3bb5 100644 --- a/src/config/makefile.h +++ b/src/config/makefile.h @@ -3521,7 +3521,11 @@ ifdef USE_MPI NWMPI_INCLUDE = $(shell PATH=$(NWCHEM_TOP)/src/libext/bin:$(PATH) $(NWCHEM_TOP)/src/tools/guess-mpidefs --mpi_include) NWMPI_LIB = $(shell PATH=$(NWCHEM_TOP)/src/libext/bin:$(PATH) $(NWCHEM_TOP)/src/tools/guess-mpidefs --mpi_lib) NWLIBMPI = $(shell PATH=$(NWCHEM_TOP)/src/libext/bin:$(PATH) $(NWCHEM_TOP)/src/tools/guess-mpidefs --libmpi) - NWLIBMPI += $(shell /usr/local/bin/pkg-config --libs-only-L hwloc 2> /dev/null) + NWLIBMPI += $(shell pkg-config3 --libs-only-L hwloc 2> /dev/null) + GOT_BREW = $(shell command -v brew 2> /dev/null) + ifdef GOT_BREW + NWLIBMPI += -L$(shell brew --prefix)/lib + endif else ifdef FORCE_MPI_ENV ifndef MPI_INCLUDE errormpi1: diff --git a/src/libext/scalapack/build_scalapa.sh b/src/libext/scalapack/build_scalapa.sh index 692bbdef5f..7068439eb0 100755 --- a/src/libext/scalapack/build_scalapa.sh +++ b/src/libext/scalapack/build_scalapa.sh @@ -30,7 +30,17 @@ if [[ -z "${NWCHEM_TOP}" ]]; then fi if [[ ! -z "${BUILD_MPICH}" ]]; then export PATH=${NWCHEM_TOP}/src/libext/bin:$PATH - export LDFLAGS=`pkg-config --libs-only-L hwloc` + if [ -x "$(command -v pkg-config1)" ]; then + export LDFLAGS=`pkg-config --libs-only-L hwloc` + else + if [ -x "$(command -v brew)" ]; then + export LDFLAGS=-L`brew --prefix`/lib/ + else + echo 'WARNING: cannot guess the location of the hwloc library' +# exit 1 + fi + fi + echo LDFLAGS for hwloc is $LDFLAGS fi if [[ "$FC" = "ftn" ]] || [[ ! -z "$USE_CMAKE_MASTER" ]] ; then get_cmake_master diff --git a/travis/build_env.sh b/travis/build_env.sh index ea30022d34..53b4e6849f 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -182,7 +182,7 @@ if [[ "$os" == "Linux" ]]; then fi if [[ "$FC" == "flang" ]]; then if [[ "USE_AOMP" == "Y" ]]; then - aomp_major=14 + aomp_major=16 aomp_minor=0-3 wget -nv https://github.com/ROCm-Developer-Tools/aomp/releases/download/rel_"$aomp_major"."$aomp_minor"/aomp_Ubuntu2004_"$aomp_major"."$aomp_minor"_amd64.deb sudo dpkg -i aomp_Ubuntu2004_"$aomp_major"."$aomp_minor"_amd64.deb @@ -203,7 +203,7 @@ if [[ "$os" == "Linux" ]]; then fi if [[ "$FC" == "amdflang" ]]; then sudo apt-get install -y wget gnupg2 coreutils dialog tzdata - rocm_version=5.4.1 + rocm_version=5.4.3 wget -q -O - https://repo.radeon.com/rocm/rocm.gpg.key | sudo apt-key add - echo 'deb [arch=amd64] https://repo.radeon.com/rocm/apt/'$rocm_version'/ ubuntu main' | sudo tee /etc/apt/sources.list.d/rocm.list sudo apt-get update -y && sudo apt-get -y install rocm-llvm openmp-extras @@ -214,8 +214,8 @@ if [[ "$os" == "Linux" ]]; then fi if [[ "$FC" == "nvfortran" ]]; then sudo apt-get -y install lmod g++ libtinfo5 libncursesw5 lua-posix lua-filesystem lua-lpeg lua-luaossl - nv_major=22 - nv_minor=11 + nv_major=23 + nv_minor=1 nverdot="$nv_major"."$nv_minor" nverdash="$nv_major"-"$nv_minor" arch_dpkg=`dpkg --print-architecture` diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc index b7023c1198..dad3c68659 100644 --- a/travis/nwchem.bashrc +++ b/travis/nwchem.bashrc @@ -25,8 +25,8 @@ echo NWCHEM_TOP is $NWCHEM_TOP export USE_MPI=y if [[ "$FC" == "flang" ]]; then if [[ "USE_AOMP" == "Y" ]]; then - aomp_major=15 - aomp_minor=0-2 + aomp_major=16 + aomp_minor=0-3 export PATH=/usr/lib/aomp_"$aomp_major"."$aomp_minor"/bin/:$PATH export LD_LIBRARY_PATH=/usr/lib/aomp_"$aomp_major"."$aomp_minor"/lib:$LD_LIBRARY_PATH else @@ -41,8 +41,8 @@ if [[ "$FC" == "amdflang" ]]; then fi if [[ "$FC" == "nvfortran" ]]; then - nv_major=22 - nv_minor=11 + nv_major=23 + nv_minor=1 nverdot="$nv_major"."$nv_minor" export PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin:$PATH export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/lib:$LD_LIBRARY_PATH