[CP2K-user] CP2K Installation (libint) error

may...@gmail.com mayan... at gmail.com
Thu Aug 6 15:01:38 UTC 2020


Hi,

I think this might have been discussed before, but I am have a libint error 
while installing cp2k via toolchain. All the components (except SIRIUS and 
cosma) have been installed via toolchain.The toolchain installed libint-2.6 
successfully and for the installation script I edited the ./configure 
options to:

./configure --prefix=${pkg_install_dir} \
                        --with-cxx="$CXX $LIBINT_CXXFLAGS" \
                        --with-cxx-optflags="$LIBINT_CXXFLAGS" \
                        --enable-fortran *--enable-eri=1*\
                        --libdir="${pkg_install_dir}/lib" \

After installing dependencies, I ran the generated arch file, where it 
stopped at the error:

../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In 
function `__libint_wrapper_MOD_cp_libint_get_derivs':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:448: undefined reference to 
`libint2_build_eri1'

../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In 
function `__libint_wrapper_MOD_cp_libint_cleanup_eri1':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:565: undefined reference to 
`libint2_cleanup_eri1'
../cp2k_v8/cp2k_v8/lib/local/psmp/libcp2kmain.a(libint_wrapper.o): In 
function `__libint_wrapper_MOD_cp_libint_init_eri1':
../cp2k_v8/cp2k_v8/src/libint_wrapper.F:520: undefined reference to 
`libint2_init_eri1'

Can someone help me resolve this issue?

Best Regards,
Mayank Dodia
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