Cleanup.

hfp · Oct 22, 2024 · bd81355 · bd81355
1 parent b32b26c
commit bd81355
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Showing 42 changed files with 387 additions and 540 deletions.
diff --git a/config/elpa/configure-elpa-gnu.sh b/config/elpa/configure-elpa-gnu.sh
@@ -50,7 +50,7 @@ then
   CONFOPTS="--disable-avx512"
 fi
 
-CONFOPTS="${CONFOPTS} --enable-openmp --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp"
 MKL_OMPRTL="gnu_thread"
 MKL_FCRTL="gf"
 TARGET="-march=native -mtune=native"
@@ -62,22 +62,17 @@ export CXXFLAGS="${CFLAGS}"
 export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -lgomp -lm -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
 export AR="gcc-ar"
 export FC="mpif90"
 export CC="mpicc"
 export CXX="mpicxx"
-export F77=${FC}
-export F90=${FC}
 
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 # Development versions may require autotools mechanics
 if [ -e "${HERE}/autogen.sh" ]; then
@@ -100,8 +95,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/elpa/configure-elpa-hsw-gnu.sh b/config/elpa/configure-elpa-hsw-gnu.sh
@@ -42,7 +42,7 @@ if [ "" = "${MKLROOT}" ]; then
   fi
 fi
 
-CONFOPTS="--disable-avx512 --enable-openmp --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp --disable-avx512"
 MKL_OMPRTL="gnu_thread"
 MKL_FCRTL="gf"
 TARGET="-march=core-avx2"
@@ -54,22 +54,17 @@ export CXXFLAGS="${CFLAGS}"
 export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -lgomp -lm -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
 export AR="gcc-ar"
 export FC="mpif90"
 export CC="mpicc"
 export CXX="mpicxx"
-export F77=${FC}
-export F90=${FC}
 
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 # Development versions may require autotools mechanics
 if [ -e "${HERE}/autogen.sh" ]; then
@@ -93,8 +88,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/elpa/configure-elpa-hsw.sh b/config/elpa/configure-elpa-hsw.sh
@@ -42,7 +42,7 @@ if [ "" = "${MKLROOT}" ]; then
   fi
 fi
 
-CONFOPTS="--disable-avx512 --enable-openmp --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp --disable-avx512"
 FPFLAGS="-fp-model fast"
 MKL_OMPRTL="intel_thread"
 MKL_FCRTL="intel"
@@ -54,36 +54,27 @@ FLAGS="-O2 ${TARGET} -I${MKLROOT}/include"
 export LDFLAGS="-L${MKLROOT}/lib/intel64"
 export CFLAGS="${FLAGS} -fno-alias -ansi-alias ${FPFLAGS}"
 export CXXFLAGS="${CFLAGS}"
-export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads -heap-arrays 4096"
+export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -liomp5 -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
-FC="ifx"; CC="icx"; CXX="icpx"; AR=$(command -v xiar || echo "ar")
-if [ "1" = "${INTEL}" ] || 
-   [ ! "$(command -v ${FC})" ] || [ ! "$(command -v ${CC})" ] || [ ! "$(command -v ${CXX})" ];
-then
-  FC="ifort"
-  if [ "1" != "${INTEL}" ]; then
-    CC="icc"
-    CXX="icpc"
-  fi
+AR=$(command -v xiar || echo "ar")
+if [ "1" != "${INTEL}" ]; then
+  CXX=$(command -v mpiicpx || echo "mpiicpc -cxx=icpx")
+  CC=$(command -v mpiicx || echo "mpiicc -cc=icx")
+  FC=$(command -v mpiifx || echo "mpiifort -fc=ifx")
+else
+  CXX="mpiicpc -cxx=$(command -v icpc || echo icpx)"
+  CC="mpiicc -cc=$(command -v icc || echo icx)"
+  FC="mpiifort"
 fi
 
-export FC="mpiifort -fc=${FC}"
-export CC="mpiicc   -cc=${CC}"
-export CXX="mpiicpc -cxx=${CXX}"
-export F77=${FC}
-export F90=${FC}
-export AR
-
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export CXX CC FC AR
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 CC_VERSION_STRING=$(${CC} --version 2>/dev/null | head -n1 | sed "s/..* \([0-9][0-9]*\.[0-9][0-9]*\.*[0-9]*\)[ \S]*.*/\1/")
 CC_VERSION_MAJOR=$(echo "${CC_VERSION_STRING}" | cut -d"." -f1)
@@ -128,8 +119,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/elpa/configure-elpa-skx-gnu.sh b/config/elpa/configure-elpa-skx-gnu.sh
@@ -42,7 +42,7 @@ if [ "" = "${MKLROOT}" ]; then
   fi
 fi
 
-CONFOPTS="--enable-avx512 --enable-openmp --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp --enable-avx512"
 MKL_OMPRTL="gnu_thread"
 MKL_FCRTL="gf"
 TARGET="-mavx512f -mavx512cd -mavx512dq -mavx512bw -mavx512vl -mfma"
@@ -54,22 +54,17 @@ export CXXFLAGS="${CFLAGS}"
 export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -lgomp -lm -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
 export AR="gcc-ar"
 export FC="mpif90"
 export CC="mpicc"
 export CXX="mpicxx"
-export F77=${FC}
-export F90=${FC}
 
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 # Development versions may require autotools mechanics
 if [ -e "${HERE}/autogen.sh" ]; then
@@ -92,8 +87,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/elpa/configure-elpa-skx.sh b/config/elpa/configure-elpa-skx.sh
@@ -42,7 +42,7 @@ if [ "" = "${MKLROOT}" ]; then
   fi
 fi
 
-CONFOPTS="--enable-avx512 --enable-openmp --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp --enable-avx512"
 FPFLAGS="-fp-model fast"
 MKL_OMPRTL="intel_thread"
 MKL_FCRTL="intel"
@@ -54,36 +54,27 @@ FLAGS="-O2 ${TARGET} -I${MKLROOT}/include"
 export LDFLAGS="-L${MKLROOT}/lib/intel64"
 export CFLAGS="${FLAGS} -fno-alias -ansi-alias ${FPFLAGS}"
 export CXXFLAGS="${CFLAGS}"
-export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads -heap-arrays 4096"
+export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -liomp5 -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
-FC="ifx"; CC="icx"; CXX="icpx"; AR=$(command -v xiar || echo "ar")
-if [ "1" = "${INTEL}" ] || 
-   [ ! "$(command -v ${FC})" ] || [ ! "$(command -v ${CC})" ] || [ ! "$(command -v ${CXX})" ];
-then
-  FC="ifort"
-  if [ "1" != "${INTEL}" ]; then
-    CC="icc"
-    CXX="icpc"
-  fi
+AR=$(command -v xiar || echo "ar")
+if [ "1" != "${INTEL}" ]; then
+  CXX=$(command -v mpiicpx || echo "mpiicpc -cxx=icpx")
+  CC=$(command -v mpiicx || echo "mpiicc -cc=icx")
+  FC=$(command -v mpiifx || echo "mpiifort -fc=ifx")
+else
+  CXX="mpiicpc -cxx=$(command -v icpc || echo icpx)"
+  CC="mpiicc -cc=$(command -v icc || echo icx)"
+  FC="mpiifort"
 fi
 
-export FC="mpiifort -fc=${FC}"
-export CC="mpiicc   -cc=${CC}"
-export CXX="mpiicpc -cxx=${CXX}"
-export F77=${FC}
-export F90=${FC}
-export AR
-
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export CXX CC FC AR
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 CC_VERSION_STRING=$(${CC} --version 2>/dev/null | head -n1 | sed "s/..* \([0-9][0-9]*\.[0-9][0-9]*\.*[0-9]*\)[ \S]*.*/\1/")
 CC_VERSION_MAJOR=$(echo "${CC_VERSION_STRING}" | cut -d"." -f1)
@@ -127,8 +118,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/elpa/configure-elpa.sh b/config/elpa/configure-elpa.sh
@@ -50,7 +50,7 @@ then
   CONFOPTS="--disable-avx512"
 fi
 
-CONFOPTS="${CONFOPTS} --enable-openmp --enable-generic-kernels --without-threading-support-check-during-build"
+CONFOPTS+=" --disable-single-precision --without-threading-support-check-during-build --enable-openmp"
 FPFLAGS="-fp-model fast"
 MKL_OMPRTL="intel_thread"
 MKL_FCRTL="intel"
@@ -62,36 +62,27 @@ FLAGS="-O2 ${TARGET} -I${MKLROOT}/include"
 export LDFLAGS="-L${MKLROOT}/lib/intel64"
 export CFLAGS="${FLAGS} -fno-alias -ansi-alias ${FPFLAGS}"
 export CXXFLAGS="${CFLAGS}"
-export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads -heap-arrays 4096"
+export FCFLAGS="${FLAGS} -I${MKLROOT}/include/intel64/lp64 -align array64byte -threads"
 export LIBS="-lmkl_${MKL_FCRTL}_lp64 -lmkl_core -lmkl_${MKL_OMPRTL} -Wl,--as-needed -liomp5 -Wl,--no-as-needed"
 export SCALAPACK_LDFLAGS="-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64"
-export F77FLAGS=${FCFLAGS}
-export F90FLAGS=${FCFLAGS}
-export FFLAGS=${FCFLAGS}
 
-FC="ifx"; CC="icx"; CXX="icpx"; AR=$(command -v xiar || echo "ar")
-if [ "1" = "${INTEL}" ] || 
-   [ ! "$(command -v ${FC})" ] || [ ! "$(command -v ${CC})" ] || [ ! "$(command -v ${CXX})" ];
-then
-  FC="ifort"
-  if [ "1" != "${INTEL}" ]; then
-    CC="icc"
-    CXX="icpc"
-  fi
+AR=$(command -v xiar || echo "ar")
+if [ "1" != "${INTEL}" ]; then
+  CXX=$(command -v mpiicpx || echo "mpiicpc -cxx=icpx")
+  CC=$(command -v mpiicx || echo "mpiicc -cc=icx")
+  FC=$(command -v mpiifx || echo "mpiifort -fc=ifx")
+else
+  CXX="mpiicpc -cxx=$(command -v icpc || echo icpx)"
+  CC="mpiicc -cc=$(command -v icc || echo icx)"
+  FC="mpiifort"
 fi
 
-export FC="mpiifort -fc=${FC}"
-export CC="mpiicc   -cc=${CC}"
-export CXX="mpiicpc -cxx=${CXX}"
-export F77=${FC}
-export F90=${FC}
-export AR
-
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export CXX CC FC AR
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
+export F77FLAGS=${FCFLAGS}
+export F90FLAGS=${FCFLAGS}
+export FFLAGS=${FCFLAGS}
 
 CC_VERSION_STRING=$(${CC} --version 2>/dev/null | head -n1 | sed "s/..* \([0-9][0-9]*\.[0-9][0-9]*\.*[0-9]*\)[ \S]*.*/\1/")
 CC_VERSION_MAJOR=$(echo "${CC_VERSION_STRING}" | cut -d"." -f1)
@@ -133,8 +124,8 @@ fi
 
 if [ -e "${HERE}/Makefile" ]; then
   sed -i \
-    -e "s/-openmp/-qopenmp/" \
     -e "s/all-am:\(.*\) \$(PROGRAMS)/all-am:\1/" \
+    -e "s/-fopenmp/-qopenmp/" \
     Makefile
 fi
 

diff --git a/config/hdf5/configure-hdf5-gnu.sh b/config/hdf5/configure-hdf5-gnu.sh
@@ -40,14 +40,9 @@ export AR="gcc-ar"
 export FC="mpif90"
 export CC="mpicc"
 export CXX="mpicxx"
-export F77=${FC}
-export F90=${FC}
 
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
 
 cat << EOM > .autom4te.cfg
 begin-language: "Autoconf-without-aclocal-m4"

diff --git a/config/hdf5/configure-hdf5-hsw-gnu.sh b/config/hdf5/configure-hdf5-hsw-gnu.sh
@@ -40,14 +40,9 @@ export AR="gcc-ar"
 export FC="mpif90"
 export CC="mpicc"
 export CXX="mpicxx"
-export F77=${FC}
-export F90=${FC}
 
-export MPICC=${CC}
-export MPIFC=${FC}
-export MPIF77=${F77}
-export MPIF90=${F90}
-export MPICXX=${CXX}
+export F77=${FC} F90=${FC} MPIFC=${FC} MPICC=${CC}
+export MPIF77=${F77} MPIF90=${F90} MPICXX=${CXX}
 
 cat << EOM > .autom4te.cfg
 begin-language: "Autoconf-without-aclocal-m4"