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quantum_package
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Fix libint integral

This commit is contained in:
TApplencourt 2016-03-07 20:35:38 +01:00
parent 17992cc1ea
commit eec846e127
2 changed files with 4 additions and 4 deletions
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4
install/scripts/install_libint.sh
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@ -12,10 +12,10 @@ function _install()
cp -R ${BUILD} . || exit 1
cd ${TARGET}
export CXX="c++"
export CXX="g++"
export CXXFLAGS=" -O3 -std=c++0x"
./configure --with-cxx-optflags
make -j 8
cd -
g++ -O2 -std=c++0x -DHAVE_CONFIG_H -I${PWD}/${TARGET}/include -I${QP_ROOT}/install/eigen -DPREP_LIBINT2_SKIP_BOOST -L${PWD}/${TARGET}/lib -lint2 -c ${QP_ROOT}/src/Integrals_Bielec/integral_bielec.cc

4
scripts/compilation/qp_create_ninja.py
View File

@ -37,8 +37,8 @@ from qp_path import QP_ROOT, QP_SRC, QP_EZFIO
LIB = "" # join(QP_ROOT, "lib", "rdtsc.o")
EZFIO_LIB = join(QP_ROOT, "lib", "libezfio_irp.a")
ZMQ_LIB = join(QP_ROOT, "lib", "libf77zmq.a") + " " + join(QP_ROOT, "lib", "libzmq.a") + " -lstdc++ -lrt"
INT_LIB = "/home/razoa/libint/libint-2.1.0-beta2/lib/.libs/libint2.a"
ZMQ_LIB = join(QP_ROOT, "lib", "libf77zmq.a") + " " + join(QP_ROOT, "lib", "libzmq.a") + " -lstdc++ -lrt"
INT_LIB = join(QP_ROOT, "libint","lib", ".libs", "libint2.a")
ROOT_BUILD_NINJA = join(QP_ROOT, "config", "build.ninja")
header = r"""#