Merge pull request #1016 from edoapra/compilers-august-2024

MPICH update

.github/workflows/github_actions.yml

@@ -422,6 +422,15 @@ jobs:
             cc: gcc
             blas: "brew_openblas"
             blas_size: 4
+          - os: macos-latest
+            experimental: true
+            mpi_impl: openmpi
+            armci_network: MPI-TS
+            nwchem_modules: "nwdft driver solvation"
+            fc: gfortran
+            cc: gcc
+            blas: "brew_openblas"
+            blas_size: 4
           - os: macos-14
             experimental: true
             mpi_impl: openmpi
@@ -432,6 +441,15 @@ jobs:
             blas: "brew_openblas"
             blas_size: 4
             xcode_version: 15.0.1
+          - os: macos-latest
+            experimental: true
+            mpi_impl: build_mpich
+            armci_network: MPI-TS
+            nwchem_modules: "nwdft driver solvation"
+            fc: gfortran-14
+            cc: gcc-14
+            blas: "brew_openblas"
+            blas_size: 4
       fail-fast: false
     env:
         MPI_IMPL: ${{ matrix.mpi_impl }}

src/libext/mpich/build_mpich.sh

@@ -3,7 +3,7 @@ source ../libext_utils/get_tgz.sh
 rm -rf mpich  mpich-?.?.?
 #VERSION=3.4.2
 #VERSION=4.0.2
-VERSION=4.1.2
+VERSION=4.2.2
 #curl -L http://www.mpich.org/static/downloads/${VERSION}/mpich-${VERSION}.tar.gz -o mpich.tgz
 #curl -L https://github.com/pmodels/mpich/releases/download/v${VERSION}/mpich-${VERSION}.tar.gz -o mpich.tgz
 get_tgz https://github.com/pmodels/mpich/releases/download/v${VERSION}/mpich-${VERSION}.tar.gz  mpich.tgz
@@ -21,14 +21,6 @@ fi
 echo FC is $FC
 FC_EXTRA=$(${NWCHEM_TOP}/src/config/strip_compiler.sh ${FC})
 echo FC_EXTRA is $FC_EXTRA
-if  [[ ${FC_EXTRA} == gfortran ]] ; then
-    GNUMAJOR=`$FC -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-`
-    echo GNUMAJOR is $GNUMAJOR
-    if [[ $GNUMAJOR -ge 10  ]]; then
-	export FFLAGS=" -fallow-argument-mismatch "
-        export FCFLAGS=" -fallow-argument-mismatch "
-    fi
-fi
 if  [[ ${FC_EXTRA} == nvfortran ]] ; then
     export FFLAGS+=" -fPIC "
     export FCFLAGS+=" -fPIC "

travis/build_env.sh

@@ -43,8 +43,13 @@ fi
 		$MYSUDO xcode-select -s /Applications/Xcode_"$XCODE_VERSION".app/Contents/Developer
 	    fi
 #  HOMEBREW_NO_AUTO_UPDATE=1 brew cask uninstall oclint || true  
-#  HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew install gcc "$MPI_IMPL" openblas python3 ||true
-     HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc "$MPI_IMPL" gsed grep automake autoconf ||true
+	    #  HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew install gcc "$MPI_IMPL" openblas python3 ||true
+	    if [[ "$MPI_IMPL" == "build_mpich" ]]; then
+		MPI_FORMULA=" "
+	    else
+		MPI_FORMULA="$MPI_IMPL"
+	    fi
+     HOMEBREW_NO_INSTALL_CLEANUP=1  HOMEBREW_NO_AUTO_UPDATE=1 brew reinstall gcc $MPI_FORMULA gsed grep automake autoconf ||true
      if [[ "$FC" != "gfortran" ]] && [[ "$FC" == "gfortran*" ]]; then
 	 #install non default gfortran, ie gfortran-9
 	 #get version