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evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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--with-cxxgen-optflags appears to not be picked up by configure. #67

Closed calewis closed 8 years ago

calewis commented 8 years ago

The commit is 9acc121db4222cb29ced1fd8f062f4dbec1f8387 in the group software directory on NewRiver.

When using the following configure command: 

$SOURCE_DIR/configure --prefix=$INSTALL_DIR CXX=${GCC_BIN}/g++ CXXFLAGS='-O1 -std=c++11' --with-cxxgen="icpc -gcc-name=${GCC_DIR}/bin/g++" --with-cxxgen-optflags='--std=c++11 -O1 -xHOST' LDFLAGS=-L${SOFTWARE}/gnu/lib CPPFLAGS="-I${SOFTWARE}/gnu/include -I${SOFTWARE}/boost/1.59.0/include -I${SOFTWARE}/eigen/3.2.5" '--with-max-am=6' '--with-opt-am=3' --enable-eri=0 --enable-eri3=0 --enable-eri2=0 --enable-1body=0 --enable-fma --disable-static --enable-shared

The following warning is obtained in the output. This warning goes away if CXXGENFLAGS is used instead of --with-cxxgen-optflags

configure: WARNING: C++ optimization options are not given! For optimum performance give CXXGENFLAGS or use --with-cxxgen-optflags configure option