flang-new-17 aka flang-17

.github/workflows/github_actions.yml

@@ -365,6 +365,12 @@ jobs:
             armci_network: MPI-TS
             nwchem_modules: "nwdft driver solvation mp2_grad mcscf ccsd rimp2 fcidump nwc_columbus"
             fc: ifx
+          - os: ubuntu-22.04
+            experimental: true
+            mpi_impl: mpich
+            armci_network: MPI-TS
+            nwchem_modules: "nwdft driver solvation"
+            fc: flang-new-17
       fail-fast: false
     env:
         MPI_IMPL: ${{ matrix.mpi_impl }}

src/config/makefile.h

@@ -2184,7 +2184,9 @@ ifneq ($(TARGET),LINUX)
                 FOPTIONS += -w
                 COPTIONS += -w
             else
-                FOPTIMIZE  += -Wuninitialized
+                    ifneq ($(USE_FLANG),1)
+                        FOPTIMIZE  += -Wuninitialized
+	            endif
                 ifeq ($(_CC),$(findstring $(_CC),gcc clang))
                     COPTIONS += -Wall
 		endif
@@ -2193,20 +2195,28 @@ ifneq ($(TARGET),LINUX)
                         FOPTIMIZE  += -Wno-maybe-uninitialized
                     endif
                 else
-                    FOPTIONS   += -Wuninitialized
+                    ifneq ($(USE_FLANG),1)
+                        FOPTIONS   += -Wuninitialized
+		    endif
                 endif
             endif
 
             DEFINES  += -DGFORTRAN
             DEFINES  += -DCHKUNDFLW -DGCC4
-
             ifeq ($(USE_FLANG),1)
+
                 GNU_GE_4_6=true
-                FOPTIONS+=-mcmodel=medium
-                FOPTIONS+=-mcmodel=medium -fno-backslash
-                COPTIONS+=-mcmodel=medium
-                CFLAGS_FORGA = -mcmodel=medium
-                FFLAGS_FORGA = -mcmodel=medium
+                FOPTIONS+=-fno-backslash
+                FLANG_VERSION=$(shell $(FC) --version |head -1 |cut -d ' ' -f 4 |cut -d . -f 1)
+                FLANG_LT_17 = $(shell [ $(FLANG_VERSION) -lt 17 ] && echo true)
+                ifeq ($(FLANG_LT_17),true)
+                    FOPTIONS+=-mcmodel=medium
+                    COPTIONS+=-mcmodel=medium
+                    CFLAGS_FORGA = -mcmodel=medium
+                    FFLAGS_FORGA = -mcmodel=medium
+		else
+                    DEFINES  += -D__FLANG
+		endif
             else
                 GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
                 ifdef GNUMAJOR
@@ -2707,7 +2717,9 @@ ifneq ($(TARGET),LINUX)
 
                 LINK.f = $(FC)  $(LDFLAGS) 
                 FOPTIMIZE  += -O3 
-                FOPTIMIZE  += -mfpmath=sse # 
+                ifneq ($(USE_FLANG),1)
+                    FOPTIMIZE  += -mfpmath=sse #
+		endif
 
                 ifeq ($(GNU_GE_6),true)
                     FOPTIMIZE += -fno-tree-dominator-opts # solvation/hnd_cosmo_lib breaks
@@ -2753,7 +2765,9 @@ ifneq ($(TARGET),LINUX)
 
             ifeq ($(GNU_GE_4_6),true)
                 ifeq ($(shell $(CNFDIR)/check_env.sh $(USE_HWOPT)),1)
-                    FOPTIMIZE +=  -mtune=native
+                    ifneq ($(USE_FLANG),1)
+                        FOPTIMIZE +=  -mtune=native
+		    endif
                 endif
                 ifdef GFORTRAN_MARCH
                     FOPTIMIZE += -march=$(GFORTRAN_MARCH)

src/config/strip_compiler.sh

@@ -7,6 +7,8 @@ elif [[ "$1" == *cc* ]] && [[ ! -z $_CC ]]; then
     echo $_CC
 elif [[ "$1" == *gfortran* ]] ; then
     echo gfortran
+elif [[ "$1" == *flang* ]] ; then
+    echo flang
 else
     echo $(basename -- $1 | cut -d \- -f 1 | sed 's/[0-9]*//g')
 fi

travis/build_env.sh

@@ -214,6 +214,12 @@ if [[ "$os" == "Linux" ]]; then
 	    icc -V
 
 	fi
+	if [[ "$FC" == "flang-new-17" ]]; then
+	    wget https://apt.llvm.org/llvm.sh
+	    chmod +x llvm.sh
+	    sudo ./llvm.sh 17
+	    syudo apt-get -y install flang-17
+	fi
 	if [[ "$FC" == "flang" ]]; then
 	    if [[ "USE_AOMP" == "Y" ]]; then
 		aomp_major=16