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evaleev / libint

Libint: high-performance library for computing Gaussian integrals in quantum mechanics
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Build fails when options --enable-eri=1 etc are given #110

Closed yurivict closed 5 years ago

yurivict commented 6 years ago

It was building fine with clang-6 with default options. But adding these options: --enable-1body=1 --enable-eri=1 --enable-eri3=1 --enable-eri2=1 --enable-contracted-ints causes the build to fail on FreeBSD 11.2 with gfortran7:

CXX HRRPart0bra0ket0sp.lo
_sphemultipolederiv1_D_S_prereq.cc:1427:1: error: no matching function for call to 'OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_10_Sb__p__0___Ab__up_'
OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_10_Sb__p__0___Ab__up_(inteval, &(stack[((hsi*18+4389)*1+lsi)*1]), &(stack[((hsi*6+4383)*1+lsi)*1]), &(stack[((h...
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
./OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_10_Sb__p__0___Ab__up_.h:25:6: note: candidate function not viable: requires 7 arguments, but 6 were provided
void OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_10_Sb__p__0___Ab__up_(const Libint_t* inteval, LIBINT2_REALTYPE* target, const LIBINT2_REALTYPE* src0, con...
     ^
_sphemultipolederiv1_D_S_prereq.cc:1452:1: error: no matching function for call to 'OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_9_Sb__p__0___Ab__up_'
OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_9_Sb__p__0___Ab__up_(inteval, &(stack[((hsi*18+4446)*1+lsi)*1]), &(stack[((hsi*6+4440)*1+lsi)*1]), &(stack[((hs...
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
./OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_9_Sb__p__0___Ab__up_.h:25:6: note: candidate function not viable: requires 8 arguments, but 7 were provided
void OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_9_Sb__p__0___Ab__up_(const Libint_t* inteval, LIBINT2_REALTYPE* target, const LIBINT2_REALTYPE* src0, cons...
     ^
_sphemultipolederiv1_D_S_prereq.cc:1481:1: error: no matching function for call to 'OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_8_Sb__p__0___Ab__up_'
OSVRRSMultipole_aB_d__0___SphericalMultipole_sB_10_c_8_Sb__p__0___Ab__up_(inteval, &(stack[((hsi*18+4503)*1+lsi)*1]), &(stack[((hsi*6+4497)*1+lsi)*1]), &(stack[((hs...
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
yurivict commented 6 years ago

The latest revision, 2.5.0-beta.2-20-gc2e0a72, doesn't fail.

evaleev commented 5 years ago

thanks for the info. please report if 2.5.0 (to be dropped this weekend) will fail.