I'm trying to build the latest Dalton code on my Fedora 24 but at the end of the compilation I'm getting this messages:
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[100%] Linking Fortran static library lib/libdalton.a
[100%] Built target dalton
Scanning dependencies of target dalton.x
[100%] Building Fortran object CMakeFiles/dalton.x.dir/DALTON/abacus/dalton.F.o
[100%] Linking Fortran executable dalton.x
lib/libdalton.a(ccsd_energy.F.o): In function `ishurwitz_':
ccsd_energy.F:(.text+0x70b): undefined reference to `dgeev_'
lib/libdalton.a(cc_lanczos_drv.F.o): In function `cc_lanczos_drv_':
cc_lanczos_drv.F:(.text+0x34cc): undefined reference to `dgeev_'
lib/libdalton.a(rspzfs.F.o): In function `zfsan1_':
rspzfs.F:(.text+0x1b6f): undefined reference to `zheev_'
rspzfs.F:(.text+0x2068): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `locsum_':
sirlocsel.F:(.text+0x1661): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `mexp_':
sirlocsel.F:(.text+0x201b): undefined reference to `zheev_'
lib/libdalton.a(sirqmmm.F.o): In function `make_qmmm_inverse_response_matrix_':
sirqmmm.F:(.text+0xf0fd): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0xf6a0): undefined reference to `dsptri_'
lib/libdalton.a(sirqmmm.F.o): In function `get_ind_dipoles_1_':
sirqmmm.F:(.text+0x12c14): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0x12c4e): undefined reference to `dsptri_'
lib/libdalton.a(sirstex.F.o): In function `matfun_':
sirstex.F:(.text+0x3b9): undefined reference to `dsyev_'
lib/libdalton.a(sirstex.F.o): In function `uaug_':
sirstex.F:(.text+0x8cd1): undefined reference to `dsyev_'
lib/libdalton.a(absorp.F.o): In function `absreduc_':
absorp.F:(.text+0xcafe): undefined reference to `zsysv_'
external/lib/libqfitlib.a(linear_solver.F90.o): In function `__linear_solver_MOD_linear_solve_svd':
linear_solver.F90:(.text+0x81f): undefined reference to `dgesvd_'
linear_solver.F90:(.text+0x95f): undefined reference to `dgesvd_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_lansp':
pe_lapack_interfaces.f90:(.text+0xc7): undefined reference to `dlansp_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_ppcon':
pe_lapack_interfaces.f90:(.text+0x241): undefined reference to `dppcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_spcon':
pe_lapack_interfaces.f90:(.text+0x41d): undefined reference to `dspcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrs':
pe_lapack_interfaces.f90:(.text+0x59f): undefined reference to `dpptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptri':
pe_lapack_interfaces.f90:(.text+0x685): undefined reference to `dpptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrf':
pe_lapack_interfaces.f90:(.text+0x765): undefined reference to `dpptrf_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrs':
pe_lapack_interfaces.f90:(.text+0x894): undefined reference to `dsptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptri':
pe_lapack_interfaces.f90:(.text+0x9bf): undefined reference to `dsptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrf':
pe_lapack_interfaces.f90:(.text+0xb1b): undefined reference to `dsptrf_'
pe_lapack_interfaces.f90:(.text+0xbad): undefined reference to `dsptrf_'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x124): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x17b): undefined reference to `cblas_dgemm'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x24d): undefined reference to `cblas_idamax'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x2f8): undefined reference to `cblas_idamax'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x406): undefined reference to `cblas_idamax'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x51c): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x692): undefined reference to `cblas_dscal'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x71c): undefined reference to `cblas_dscal'
/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
(.text+0x75f): undefined reference to `cblas_dscal'
/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
(.text+0xe3): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
(.text+0x12c): undefined reference to `cblas_dgemm'
/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
(.text+0x1f4): undefined reference to `cblas_idamax'
/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
(.text+0x288): undefined reference to `cblas_dscal'
/lib64/atlas/liblapack.a(ATL_dgetriC.o): In function `ATL_dgetriC':
(.text+0x157): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetriC.o): In function `ATL_dgetriC':
(.text+0x295): undefined reference to `cblas_dgemm'
/lib64/atlas/liblapack.a(ATL_dgetriC.o): In function `ATL_dgetriC':
(.text+0x2d3): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetriC.o): In function `ATL_dgetriC':
(.text+0x356): undefined reference to `cblas_dswap'
/lib64/atlas/liblapack.a(ATL_dgetriR.o): In function `ATL_dgetriR':
(.text+0x163): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetriR.o): In function `ATL_dgetriR':
(.text+0x2a7): undefined reference to `cblas_dgemm'
/lib64/atlas/liblapack.a(ATL_dgetriR.o): In function `ATL_dgetriR':
(.text+0x2e6): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetriR.o): In function `ATL_dgetriR':
(.text+0x36e): undefined reference to `cblas_dswap'
/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
(.text+0x9c): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
(.text+0xd6): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
(.text+0x132): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
(.text+0x16a): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
(.text+0x1df): undefined reference to `cblas_dtrsm'
/lib64/atlas/liblapack.a(ATL_dgetrs.o):(.text+0x26c): more undefined references to `cblas_dtrsm' follow
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x44b): undefined reference to `ATL_zGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x506): undefined reference to `ATL_sGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x52b): undefined reference to `ATL_sGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x571): undefined reference to `ATL_dGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x59d): undefined reference to `ATL_dGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x5b3): undefined reference to `ATL_cGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x63c): undefined reference to `ATL_cGetNB'
/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
(.text+0x6e7): undefined reference to `ATL_zGetNB'
/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
(.text+0xa0): undefined reference to `cblas_idamax'
/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
(.text+0xfc): undefined reference to `cblas_dswap'
/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
(.text+0x17d): undefined reference to `ATL_dger'
/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
(.text+0x217): undefined reference to `cblas_dscal'
collect2: error: ld returned 1 exit status
CMakeFiles/dalton.x.dir/build.make:102: recipe for target 'dalton.x' failed
make[2]: *** [dalton.x] Error 1
CMakeFiles/Makefile2:1341: recipe for target 'CMakeFiles/dalton.x.dir/all' failed
make[1]: *** [CMakeFiles/dalton.x.dir/all] Error 2
Makefile:138: recipe for target 'all' failed
make: *** [all] Error 2
Here is my ./setup command:
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$ ./setup --blas=auto --lapack=auto --omp --prefix=/home/henrique/bin/dalton
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-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03
-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03 - Success
-- Performing Test PTR_RESHAPE_WORKS
-- Performing Test PTR_RESHAPE_WORKS - Success
-- Math lib search order is MKL;ESSL;OPENBLAS;ATLAS;ACML;SYSTEM_NATIVE
-- You can select a specific type by defining for instance -D BLAS_TYPE=ATLAS or -D LAPACK_TYPE=ACML
-- or by redefining MATH_LIB_SEARCH_ORDER
-- Found BLAS: ATLAS (/lib64/atlas/libf77blas.a;/lib64/atlas/libcblas.a;/lib64/atlas/libatlas.a)
-- Found LAPACK: OPENBLAS (/lib64/atlas/libatlas.a;/lib64/atlas/liblapack.a)
-- Configuring done
-- Generating done
-- Build files have been written to: /home/henrique/Build/DALTON2016.2-Source/build
configure step is done
now you need to compile the sources:
$ cd build
$ make