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Merge pull request #890 from edoapra/flaccid-fraction

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NWChem: Open Source High-Performance Computational Chemistry 2023-10-17 22:41:51 -07:00 • committed by GitHub
commit 3aaf10dac6
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4 changed files with 14 additions and 7 deletions
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1
src/blas/GNUmakefile
View file

@ -5,6 +5,7 @@ endif
include ../config/makefile.h
LIBRARY = libnwcblas.a
# LIB_INCLUDES = -I../util
#
# USE both double and single now (short term solution for added single precision

4
src/config/makefile.h
View file

@ -2138,7 +2138,7 @@ ifneq ($(TARGET),LINUX)
CFLAGS_FORGA = -mabi=64
endif
ifeq ($(_CPU),loong64)
ifeq ($(_CPU),loongarch64)
DONTHAVEM64OPT=Y
endif
ifeq ($(_CPU),riscv64)
@ -2219,7 +2219,7 @@ ifneq ($(TARGET),LINUX)
GNU_GE_4_6=true
FOPTIONS+=-fno-backslash
FLANG_VERSION=$(shell $(FC) --version |head -1 |cut -d ' ' -f 4 |cut -d . -f 1)
FLANG_VERSION=$(shell $(FC) --version |head -1 || sed 's/^.*\(version\)//'|cut -d . -f 1)
FLANG_LT_17 = $(shell [ $(FLANG_VERSION) -lt 17 ] && echo true)
ifeq ($(FLANG_LT_17),true)
FOPTIONS+=-mcmodel=medium

14
src/libext/openblas/build_openblas.sh
View file

@ -1,4 +1,4 @@
#!/usr/bin/env bash
!/usr/bin/env bash
#set -v
arch=`uname -m`
VERSION=0.3.24
@ -25,7 +25,7 @@ cd OpenBLAS
#patch -p0 -s -N < ../makesys.patch
#patch -p0 -s -N < ../icc_avx512.patch
# patch for pgi/nvfortran missing -march=armv8
patch -p0 -s -N < ../arm64_fopt.patch
#patch -p0 -s -N < ../arm64_fopt.patch
#patch -p1 -s -N < ../9402df5604e69f86f58953e3883f33f98c930baf.patch
patch -p0 -s -N < ../crayftn.patch
patch -p0 -s -N < ../f_check.patch
@ -152,6 +152,12 @@ elif [[ -n ${FC} ]] && [[ $(../../../config/strip_compiler.sh "${FC}") == "flan
if [[ ${BLAS_SIZE} == 8 ]]; then
LAPACK_FPFLAGS_VAL+=" -fdefault-integer-8"
fi
FLANG_VERSION=$(${FC} --version |head -1 | sed 's/^.*\(version\)//'|cut -d . -f 1)
if [[ ${FLANG_VERSION} -lt 17 ]]; then
FLANG_GE_17="false"
else
FLANG_GE_17="true"
fi
elif [[ "${_FC}" == "crayftn" ]] ; then
# FORCETARGET+=' F_COMPILER=FLANG '
LAPACK_FPFLAGS_VAL=" -s integer64 -ef "
@ -254,8 +260,8 @@ echo output redirected to libext/openblas/OpenBLAS/openblas.log
echo
if [[ ${_FC} == xlf ]]; then
$MYMAKE FC="xlf -qextname" $FORCETARGET LAPACK_FPFLAGS="$LAPACK_FPFLAGS_VAL" INTERFACE64="$sixty4_int" BINARY="$binary" NUM_THREADS=$MYNTS NO_CBLAS=1 NO_LAPACKE=1 DEBUG=0 USE_THREAD="$THREADOPT" libs netlib $MAKEJ >& openblas.log
elif [[ ${FC} == flang-new-17 ]]; then
$MYMAKE FC=$FC CC=$CC HOSTCC=gcc $FORCETARGET FCOMMON_OPT="$LAPACK_FPFLAGS_VAL" LAPACK_FPFLAGS="$LAPACK_FPFLAGS_VAL" INTERFACE64="$sixty4_int" BINARY="$binary" NUM_THREADS=128 NO_CBLAS=1 NO_LAPACKE=1 DEBUG=0 USE_THREAD="$THREADOPT" libs netlib $MAKEJ >& openblas.log
elif [[ ${FLANG_GE_17} == "true" ]]; then
$MYMAKE FC=$FC CC=$CC HOSTCC=gcc $FORCETARGET FCOMMON_OPT="$LAPACK_FPFLAGS_VAL" LAPACK_FPFLAGS="$LAPACK_FPFLAGS_VAL" INTERFACE64="$sixty4_int" BINARY="$binary" NUM_THREADS=128 NO_CBLAS=1 NO_LAPACKE=1 DEBUG=0 USE_THREAD="$THREADOPT" libs netlib $MAKEJ >& openblas.log
else
$MYMAKE FC=$FC CC=$CC HOSTCC=gcc $FORCETARGET LAPACK_FPFLAGS="$LAPACK_FPFLAGS_VAL" INTERFACE64="$sixty4_int" BINARY="$binary" NUM_THREADS=128 NO_CBLAS=1 NO_LAPACKE=1 DEBUG=0 USE_THREAD="$THREADOPT" libs netlib $MAKEJ >& openblas.log
fi

2
src/tools/get-tools-github
View file

@ -38,7 +38,7 @@ function ga_download()
echo " "
echo "wget or curl required for downloading GA tar file"
echo " "
return 1
exit 1
fi
fi
# check tar.gz integrity