comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 22:25:48 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

version 2.1; use FC=mpif90

Browse source
This commit is contained in:
edoapra 2019-11-19 19:09:42 -08:00
parent d004ab59e3
commit 276a287d99
No known key found for this signature in database
GPG key ID: 48E12DA1EDE9E1B0
1 changed files with 18 additions and 11 deletions
Download patch file Download diff file Expand all files Collapse all files

29
src/libext/scalapack/build_scalapa.sh
View file

@ -1,9 +1,15 @@
#!/bin/bash
#!/bin/bash
if ! [ -x "$(command -v mpif90)" ]; then
echo
echo mpif90 not installed
echo mpif90 is required for building Scalapack
echo
exit 1
fi
if [[ -z "${NWCHEM_TOP}" ]]; then
dir3=$(dirname `pwd`)
dir2=$(dirname "$dir3")
NWCHEM_TOP=$(dirname "$dir2")
echo @@@@@@@TOP $NWCHEM_TOP
fi
if [[ "$SCALAPACK_SIZE" != "4" ]] ; then
echo SCALAPACK_SIZE must be equal to 4
@ -23,25 +29,26 @@ fi
#git clone https://github.com/scibuilder/scalapack.git
#svn co --non-interactive --trust-server-cert https://icl.utk.edu/svn/scalapack-dev/scalapack/trunk/ scalapack
rm -rf scalapack*
#curl -L http://www.netlib.org/scalapack/scalapack-2.1.tgz -o scalapack.tgz
VERSION=2.0.2
curl -L http://www.netlib.org/scalapack/scalapack-${VERSION}.tgz -o scalapack.tgz
VERSION=2.1
curl -L https://github.com/Reference-ScaLAPACK/scalapack/archive/v${VERSION}.tar.gz -o scalapack.tgz
#curl -L http://www.netlib.org/scalapack/scalapack-${VERSION}.tgz -o scalapack.tgz
tar xzf scalapack.tgz
patch -p0 < mpistruct.patch
if [[ ${VERSION} == 2.0.2 ]] ; then
patch -p0 < mpistruct.patch
fi
ln -sf scalapack-${VERSION} scalapack
mkdir -p scalapack/build
cd scalapack/build
if [[ -n ${FC} ]] && [[ ${FC} == xlf ]] || [[ ${FC} == xlf_r ]] || [[ ${FC} == xlf90 ]]|| [[ ${FC} == xlf90_r ]]; then
Fortran_FLAGS=" -qintsize=4 -qextname "
elif [[ -n ${FC} ]] && [[ ${FC} == flang ]]; then
unset FC=flang since cmake gets lost
unset FC
#elif [[ -n ${FC} ]] && [[ ${FC} == flang ]]; then
# unset FC=flang since cmake gets lost
# unset FC
fi
if [[ ! -z "$BUILD_SCALAPACK" ]] ; then
echo TOP is "$NWCHEM_TOP"
Fortran_FLAGS+=-I"$NWCHEM_TOP"/src/libext/include
fi
FFLAGS="$Fortran_FLAGS" cmake --debug-trycompile -Wno-dev ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DCMAKE_Fortran_FLAGS="$Fortran_FLAGS" -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=OFF -DBLAS_openblas_LIBRARY="$BLASOPT" -DBLAS_LIBRARIES="$BLASOPT" -DLAPACK_openblas_LIBRARY="$BLASOPT" -DLAPACK_LIBRARIES="$BLASOPT"
FC=mpif90 FFLAGS="$Fortran_FLAGS" cmake -Wno-dev ../ -DCMAKE_BUILD_TYPE=RelWithDebInfo -DCMAKE_Fortran_FLAGS="$Fortran_FLAGS" -DTEST_SCALAPACK=OFF -DBUILD_TESTING=OFF -DBUILD_SHARED_LIBS=OFF -DBLAS_openblas_LIBRARY="$BLASOPT" -DBLAS_LIBRARIES="$BLASOPT" -DLAPACK_openblas_LIBRARY="$BLASOPT" -DLAPACK_LIBRARIES="$BLASOPT"
make V=0 -j3 scalapack/fast
mkdir -p ../../../lib
cp lib/libscalapack.a ../../../lib