source_list_KKRhost.txt

# deal with OpenMP flags:
# only these files contain OpenMP statements:
set_source_files_properties(source/KKRhost/gll95.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
set_source_files_properties(source/KKRhost/main0.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
set_source_files_properties(source/KKRhost/rhoqtools.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
set_source_files_properties(source/KKRhost/strmat.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
if(ENABLE_MPI) # this works only in hybrid mode at the moment and not with OpenMP only
    set_source_files_properties(source/KKRhost/tmat_newsolver.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
    set_source_files_properties(source/KKRhost/rhovalnew.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
    #set_source_files_properties(source/KKRhost/rllsll.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
    set_source_files_properties(source/common/radial_solver_Chebychev/rllsll.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
endif()

# parallelization of global/local solutions broken, probably because local solutions are called within global solutions
#set_source_files_properties(source/KKRhost/rll_global_solutions.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
#set_source_files_properties(source/KKRhost/sll_global_solutons.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
#set_source_files_properties(source/KKRhost/rll_local_solutions.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")
#set_source_files_properties(source/KKRhost/sll_local_solutons.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")

# here parallelization only works without lloyd and can be optimized (calls to subroutines dlke0 etc are serialized at the moment)
#set_source_files_properties(source/KKRhost/kkrmat01.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")

# omp statenments commented out:
#set_source_files_properties(source/KKRhost/rhoval.F90 PROPERTIES COMPILE_FLAGS "${ompflags}")


# special option, preparation for rllsll standalone test
if(WRITE_RLLSLL_STANDALONE_INPUT)
    add_definitions(-Dtest_prep)
endif()


# some static dimensions used in Dirac solver
execute_process(COMMAND ln -s ../source/KKRhost/sprkkr_rmesh.dim .)

# these are the source files of KKRhost, create kkr_library to be able to conveniently reuse parts of if in BdG development version
add_library(lib_common STATIC
    source/common/simp3.f90
    source/common/cross.f90
    source/common/ddet33.f90
    source/common/latvec.f90
    source/common/pointgrp.f90
    source/common/wfint.f90
    source/common/version.F90
    source/common/version_info.F90
    source/common/DataTypes.f90
    source/common/constants.f90
    source/common/rotatespinframe.f90
    source/common/profiling.f90
    source/common/mympi.F90
    source/common/types.F90
    source/common/timing.F90
    source/common/ioinput.f90
    source/common/interpolspline.f90
    source/common/spline.f90
    source/common/splint.f90
    source/common/gaunt2.f90
    source/common/grule.f90
    source/common/rcstop.f90
    source/common/cinit.f90
    source/common/vxcspo.f90
    source/common/vxcgga.f90
    source/common/vxclm.f90
    source/common/global_variables.F90
    source/common/simpk.f90
    source/common/gradrl.f90
    source/common/gradr.f90
    source/common/mkxcpe.f90
    source/common/mkxcpe2.f90
    source/common/ssum.f90
    source/common/gxcpt.f90
    source/common/corlsd.f90
    source/common/cpw91.f90
    source/common/gcor91.f90
    source/common/vosko.f90
    source/common/exch91.f90
    source/common/radial_solver_Chebychev/intcheb_cell.f90
    source/common/radial_solver_Chebychev/cheb.f90
    source/common/radial_solver_Chebychev/cheb2oldgrid.f90
    source/common/radial_solver_Chebychev/chebint.f90
    source/common/radial_solver_Chebychev/rll_global_solutions.F90
    source/common/radial_solver_Chebychev/rll_local_solutions.F90
    source/common/radial_solver_Chebychev/rllsll.F90
    source/common/radial_solver_Chebychev/rllsllsourceterms.f90
    source/common/radial_solver_Chebychev/sll_global_solutions.F90
    source/common/radial_solver_Chebychev/sll_local_solutions.F90
    source/common/radial_solver_Chebychev/create_newmesh.f90
    source/common/radial_solver_Chebychev/vllmat.f90
    source/common/radial_solver_Chebychev/vllmatsra.f90
    source/common/radial_solver_Chebychev/calcsph.f90
    source/common/trarea.f90
    source/common/sphere_nogga.f90
    source/common/lebedev.f90
    source/common/rclm.f90
    source/common/ymy.f90
    source/common/findgroup.f90
    source/common/spin_orbit.f90
    source/common/spin_orbit_compl.f90
    source/common/spinorbit_ham.f90
    source/common/runoptions.F90
    source/common/beshank.f90
    source/common/wronskian.f90
    source/common/mathtools.f90
    source/common/bfield.f90
)
# disable cmake auto add pf 'lib' prefix to .so file
SET_TARGET_PROPERTIES(lib_common PROPERTIES PREFIX "")
add_library(lib_kkrhost STATIC
    source/KKRhost/addvirtual14.f90
    source/KKRhost/amemagvec.f90
    source/KKRhost/bastrmat.f90
    source/KKRhost/beshan.f90
    source/KKRhost/bofm.f90
    source/KKRhost/brydbm.f90
    source/KKRhost/brysh1.f90
    source/KKRhost/brysh2.f90
    source/KKRhost/brysh3.f90
    source/KKRhost/btom.f90
    source/KKRhost/bzirr3d.f90
    source/KKRhost/bzkint0.f90
    source/KKRhost/bzkmesh.f90
    source/KKRhost/calc_rho_ll_ss.f90
    source/KKRhost/calc_rho_ll_ss_lmdos.f90
    source/KKRhost/calc_torq_ll_ss.f90
    source/KKRhost/calccgc.f90
    source/KKRhost/calcgf.f90
    source/KKRhost/calcmvec.f90
    source/KKRhost/calcrotmat.f90
    source/KKRhost/calctmat.F90
    source/KKRhost/calctref.f90
    source/KKRhost/calrmt.f90
    source/KKRhost/cdjlzdz.f90
    source/KKRhost/cdnlzdz.f90
    source/KKRhost/changerep.f90
    source/KKRhost/checkrmat.f90
    source/KKRhost/cint4pts.f90
    source/KKRhost/cintabr.f90
    source/KKRhost/cinthff.f90
    source/KKRhost/cjlz.f90
    source/KKRhost/clsgen_tb.f90
    source/KKRhost/cmatmul.f90
    source/KKRhost/cmatstr.f90
    source/KKRhost/cmomsread.f90
    source/KKRhost/cnlz.f90
    source/KKRhost/convol.f90
    source/KKRhost/core.f90
    source/KKRhost/coredir.f90
    source/KKRhost/coreerr.f90
    source/KKRhost/corehff.f90
    source/KKRhost/corel.f90
    source/KKRhost/cpamillsx.f90
    source/KKRhost/cradwf.f90
    source/KKRhost/crospr.f90
    source/KKRhost/crtstar.f90
    source/KKRhost/csimpk.f90
    source/KKRhost/csinwd.f90
    source/KKRhost/csout.f90
    source/KKRhost/csum.f90
    source/KKRhost/cylm02.f90
    source/KKRhost/ddot1.f90
    source/KKRhost/decimaread.f90
    source/KKRhost/decimate.f90
    source/KKRhost/deciopt.f90
    source/KKRhost/decipotbas.f90
    source/KKRhost/decipothead.f90
    source/KKRhost/decitmat.f90
    source/KKRhost/decitset.f90
    source/KKRhost/densitymat.f90
    source/KKRhost/dinv33.f90
    source/KKRhost/dirac_bi.f90
    source/KKRhost/dirac_bs.f90
    source/KKRhost/dirac_op.f90
    source/KKRhost/dirac_soc.f90
    source/KKRhost/dirac_soc2.f90
    source/KKRhost/dirbslag.f90
    source/KKRhost/dirbsmid.f90
    source/KKRhost/dirbsrad.f90
    source/KKRhost/dirbsrze.f90
    source/KKRhost/dirbsstp.f90
    source/KKRhost/dlke0.f90
    source/KKRhost/dlke1.f90
    source/KKRhost/dmpy.f90
    source/KKRhost/drvbastrans.f90
    source/KKRhost/drvcore.f90
    source/KKRhost/drvreltmat.f90
    source/KKRhost/drvrho.f90
    source/KKRhost/dscal1.f90
    source/KKRhost/dsort.f90
    source/KKRhost/dswap1.f90
    source/KKRhost/ecoub.f90
    source/KKRhost/emesht.f90
    source/KKRhost/epathtb.f90
    source/KKRhost/epotinb.f90
    source/KKRhost/erfcex.f90
    source/KKRhost/errmsg.f90
    source/KKRhost/errortrap.f90
    source/KKRhost/espcb.f90
    source/KKRhost/etotb1.f90
    source/KKRhost/ewald2d.f90
    source/KKRhost/force.f90
    source/KKRhost/forceh.f90
    source/KKRhost/forcxc.f90
    source/KKRhost/fplaneg.f90
    source/KKRhost/fplaner.f90
    source/KKRhost/gamfc.f90
    source/KKRhost/gaufd.f90
    source/KKRhost/gauleg.f90
    source/KKRhost/gaunt.f90
    source/KKRhost/generalpot.f90
    source/KKRhost/getbr3.f90
    source/KKRhost/getclusnxyz.f90
    source/KKRhost/getdmat.f90
    source/KKRhost/getscratch.f90
    source/KKRhost/gfmask.f90
    source/KKRhost/gfree.f90
    source/KKRhost/gfshells.f90
    source/KKRhost/gijcond.f90
    source/KKRhost/gijdmat.f90
    source/KKRhost/gijxcpl.f90
    source/KKRhost/gll95.F90
    source/KKRhost/godfrin.F90
    source/KKRhost/gradr_d0.f90
    source/KKRhost/greenimp.F90
    source/KKRhost/grefsy.f90
    source/KKRhost/hankel.f90
    source/KKRhost/hffcore.f90
    source/KKRhost/idreals.f90
    source/KKRhost/ikapmue.f90
    source/KKRhost/ikmlin.f90
    source/KKRhost/impcheck.f90
    source/KKRhost/impcoefs.f90
    source/KKRhost/initabjij.f90
    source/KKRhost/initldau.f90
    source/KKRhost/intcor.f90
    source/KKRhost/interpolate_poten.f90
    source/KKRhost/intin.f90
    source/KKRhost/intout.f90
    source/KKRhost/inversion.f90
    source/KKRhost/invslab.f90
    source/KKRhost/invsupercell.f90
    source/KKRhost/ioben.f90
    source/KKRhost/irwns.f90
    source/KKRhost/irwsol.f90
    source/KKRhost/jijhelp.f90
    source/KKRhost/kkrmat01.F90
    source/KKRhost/kloopz1.F90
    source/KKRhost/lattice2d.f90
    source/KKRhost/lattice3d.f90
    source/KKRhost/lattix99.f90
    source/KKRhost/length.f90
    source/KKRhost/lngstring.f90
    source/KKRhost/madelcoef.f90
    source/KKRhost/madelgaunt.f90
    source/KKRhost/madelout.f90
    source/KKRhost/madelung2d.f90
    source/KKRhost/madelung3d.f90
    source/KKRhost/main0.F90
    source/KKRhost/main1a.F90
    source/KKRhost/main1b.F90
    source/KKRhost/main1c.F90
    source/KKRhost/main2.F90
    source/KKRhost/mapblock.f90
    source/KKRhost/md5sums.F90
    source/KKRhost/mdirnewang.f90
    source/KKRhost/memoryhandling.f90
    source/KKRhost/mixldau.f90
    source/KKRhost/mixstr.f90
    source/KKRhost/mssinit.f90
    source/KKRhost/mtzero.f90
    source/KKRhost/mvecglobal.f90
    source/KKRhost/normcoeff_SO.F90
    source/KKRhost/normcoeff_SO_spinflux.F90
    source/KKRhost/normcoeff_SO_torq.F90
    source/KKRhost/nrmliz.f90
    source/KKRhost/operators_for_FScode.F90
    source/KKRhost/orbitalmoment.f90
    source/KKRhost/outpothost.f90
    source/KKRhost/outtmathost.f90
    source/KKRhost/overlap.f90
    source/KKRhost/phicalc.f90
    source/KKRhost/pnsqns.f90
    source/KKRhost/pnstmat.f90
    source/KKRhost/potcut.f90
    source/KKRhost/projtau.f90
    source/KKRhost/readimppot.f90
    source/KKRhost/readldaupot.f90
    source/KKRhost/reg2.f90
    source/KKRhost/regns.f90
    source/KKRhost/regsol.f90
    source/KKRhost/relpotcvt.f90
    source/KKRhost/renorm_lly.f90
    source/KKRhost/rhocore.f90
    source/KKRhost/rhoin.F90
    source/KKRhost/rholm.f90
    source/KKRhost/rhons.F90
    source/KKRhost/rhoout.f90
    source/KKRhost/rhooutnew.f90
    source/KKRhost/rhoqtools.F90
    source/KKRhost/rhosymm.f90
    source/KKRhost/rhototb.f90
    source/KKRhost/rhoval.F90
    source/KKRhost/rhoval0.f90
    source/KKRhost/rhovalnew.F90
    source/KKRhost/rinit.f90
    source/KKRhost/rinput13.F90
    source/KKRhost/rint4pts.f90
    source/KKRhost/rintsimp.f90
    source/KKRhost/rinvgj.f90
    source/KKRhost/rites.f90
    source/KKRhost/rmatstr.f90
    source/KKRhost/rnuctab.f90
    source/KKRhost/rotate.f90
    source/KKRhost/rotgll.F90
    source/KKRhost/rotmat.f90
    source/KKRhost/rrgen.f90
    source/KKRhost/save_wavefun.F90
    source/KKRhost/scalevec.f90
    source/KKRhost/scalpr.f90
    source/KKRhost/scfchrdns.f90
    source/KKRhost/scfiterang.f90
    source/KKRhost/setfactl.f90
    source/KKRhost/setgijtab.f90
    source/KKRhost/shape_corr.f90
    source/KKRhost/shellgen2k.f90
    source/KKRhost/sinwk.f90
    source/KKRhost/sname.f90
    source/KKRhost/soutk.f90
    source/KKRhost/spatpr.f90
    source/KKRhost/spher.f90
    source/KKRhost/sphere_gga.f90
    source/KKRhost/ssite.f90
    source/KKRhost/startb1.f90
    source/KKRhost/startldau.f90
    source/KKRhost/strmat.F90
    source/KKRhost/strsmat.f90
    source/KKRhost/sumupint.f90
    source/KKRhost/surfgf.f90
    source/KKRhost/symetrmat.f90
    source/KKRhost/symlat.f90
    source/KKRhost/symtaumat.f90
    source/KKRhost/taustruc.f90
    source/KKRhost/tbref.F90
    source/KKRhost/tbxccpljij.F90
    source/KKRhost/tbxccpljijdij.F90
    source/KKRhost/testdim.f90
    source/KKRhost/tmat_newsolver.F90
    source/KKRhost/tmatimp_newsolver.F90
    source/KKRhost/vadd.f90
    source/KKRhost/veq.f90
    source/KKRhost/vinterface.f90
    source/KKRhost/vintras.f90
    source/KKRhost/vllns.f90
    source/KKRhost/vmadelblk.f90
    source/KKRhost/vmul.f90
    source/KKRhost/vxcdrv.f90
    source/KKRhost/wfmesh.f90
    source/KKRhost/wftsca.f90
    source/KKRhost/wmatldau.f90
    source/KKRhost/wmatldausoc.f90
    source/KKRhost/write_tbkkr_files.f90
    source/KKRhost/writehoststructure.f90
    source/KKRhost/writekkrflex.f90
    source/KKRhost/wrldaupot.f90
    source/KKRhost/wrldos.f90
    source/KKRhost/wrmoms.f90
    source/KKRhost/wunfiles.F90
    source/KKRhost/ylag.f90
)
# disable cmake auto add pf 'lib' prefix to .so file
SET_TARGET_PROPERTIES(lib_kkrhost PROPERTIES PREFIX "")
target_link_libraries(lib_kkrhost lib_common)


# the executable is built from this list of files
add_executable(
    kkr.x
    source/KKRhost/main_all.F90
    )
target_link_libraries(kkr.x lib_kkrhost)
if(CMAKE_Fortran_COMPILER_ID MATCHES GNU)
    target_link_libraries(kkr.x ${lapackblas_libraries})
endif()

if(ENABLE_BdG)
    # for wf testing (BdG)
    add_executable(
        kkr_BdG_radial.x
        source/KKRhost/main_tmat_runner.F90
        source/KKRhost/main1a_dummy_BdG.f90 
        )
    target_link_libraries(kkr_BdG_radial.x lib_kkrhost)
    if(CMAKE_Fortran_COMPILER_ID MATCHES GNU)
        target_link_libraries(kkr_BdG_radial.x ${lapackblas_libraries})
    endif()
endif()