cmake_minimum_required(VERSION 3.9)

# Determine main Tinker directory

find_path(
    TINKER_DIR
    "source/dynamic.f"
    HINTS ../
    DOC "Main Tinker directory"
    REQUIRED
)

# Get the version number from the banner file

file(READ "${TINKER_DIR}/source/promo.f" PROMO_F)
string(REGEX MATCH "Version (([0-9]+)(\\.[0-9]+)*)" _ ${PROMO_F})
set(VERSION ${CMAKE_MATCH_1})

project(tinker VERSION ${VERSION} LANGUAGES Fortran)

include(GNUInstallDirs)

set(CMAKE_Fortran_MODULE_DIRECTORY ${CMAKE_BINARY_DIR}/mod)

# Make sure that the default is a RELEASE

if(NOT CMAKE_BUILD_TYPE)
    set(
        CMAKE_BUILD_TYPE RELEASE CACHE STRING
        "Choose the Type of Build, Options are: None Debug Release"
        FORCE
    )
endif()

# Find required libraries

find_package(OpenMP REQUIRED)

find_package(PkgConfig)
if(PKG_CONFIG_FOUND)
    pkg_check_modules(FFTW3 fftw3)
endif()

find_library(FFTW_LIB NAMES libfftw3.a fftw3 HINTS ${FFTW3_LIBRARY_DIRS} ${LIB_INSTALL_DIR})
if(FFTW_THREAD_TYPE)
    find_library(FFTW_THREADED_LIB NAMES libfftw3_${FFTW_THREAD_TYPE}.a fftw3_${FFTW_THREAD_TYPE} HINTS ${FFTW3_LIBRARY_DIRS} ${LIB_INSTALL_DIR})
else()
    foreach(FFTW_TYPE IN ITEMS threads omp)
        find_library(FFTW_THREADED_LIB NAMES libfftw3_${FFTW_TYPE}.a fftw3_${FFTW_TYPE} HINTS ${FFTW3_LIBRARY_DIRS} ${LIB_INSTALL_DIR})
        if(FFTW_THREADED_LIB)
            break()
        endif()
    endforeach()
endif()

if(NOT FFTW_LIB)
    message(FATAL_ERROR "FFTW3 Library Not Found!")
elseif(NOT FFTW_THREADED_LIB)
    message(FATAL_ERROR "Threaded FFTW3 Library Not Found! (threads or omp)")
else()
    message(STATUS "Found FFTW3: ${FFTW_LIB}")
    message(STATUS "Found threaded FFTW3: ${FFTW_THREADED_LIB}")
endif()

# Link libraries automatically so that LD_LIBRARY_PATH does not need to be set
set(CMAKE_INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)

# Set compiler flags

if(APPLE)
    set(ARCH_FLAGS "-mtune=native")
else()
    set(ARCH_FLAGS "-march=native")
endif()

if(WIN32)
    if(CMAKE_Fortran_COMPILER_ID MATCHES "Intel")
        set(CMAKE_Fortran_FLAGS_RELEASE "/O3 /QxHost /Qip- /Qprec-div- /w")
        set(CMAKE_Fortran_FLAGS_DEBUG "/debug:full")
        set(CMAKE_EXE_LINKER_FLAGS "/recursive /libs:static")
    endif()
elseif(UNIX) # includes cygwin
    if(CMAKE_Fortran_COMPILER_ID MATCHES "GNU")
        set(CMAKE_Fortran_FLAGS_RELEASE "-Ofast ${ARCH_FLAGS}")
        set(CMAKE_Fortran_FLAGS_DEBUG "-Og -fbacktrace -fcheck=bounds -Wall")
        set(CMAKE_EXE_LINKER_FLAGS "-static-libgcc")
    elseif(CMAKE_Fortran_COMPILER_ID MATCHES "Intel")
        set(CMAKE_Fortran_FLAGS_RELEASE "-O3 -xHost -no-ipo -no-prec-div")
        set(CMAKE_Fortran_FLAGS_DEBUG "-g -warn all -check all")
        set(CMAKE_EXE_LINKER_FLAGS "-recursive -static-libgcc -static-intel")
    elseif(CMAKE_Fortran_COMPILER_ID MATCHES "PGI")
        set(CMAKE_Fortran_FLAGS_RELEASE "-fast -O3")
        set(CMAKE_Fortran_FLAGS_DEBUG "-O0 -Mdclchk -Mbounds -Mchkptr -Mchkstk")
    endif()
else()
    message(WARNING "OS-Specific Flags are Not Set Properly!")
endif()

set(_FILES
    action active align alterchg alterpol analysis analyz angang angbnd
    angles angpot angtor argue ascii atmlst atomid atoms attach baoab
    basefile bath beeman bicubic bitor bitors bndpot bndstr bonds born
    bound bounds boxes bussi calendar cell center cflux charge chgpen
    chgpot chgtrn chkpole chkring chksymm chkxyz cholesky chrono chunks
    clock cluster column command connect connolly control couple cspline
    ctrpot cutoffs damping dcflux deflate delete deriv dexpol diagq diffeq
    dipole disgeo disp dma domega dsppot eangang eangang1 eangang2 eangang3
    eangle eangle1 eangle2 eangle3 eangtor eangtor1 eangtor2 eangtor3 ebond
    ebond1 ebond2 ebond3 ebuck ebuck1 ebuck2 ebuck3 echarge echarge1
    echarge2 echarge3 echgdpl echgdpl1 echgdpl2 echgdpl3 echgtrn echgtrn1
    echgtrn2 echgtrn3 edipole edipole1 edipole2 edipole3 edisp edisp1
    edisp2 edisp3 egauss egauss1 egauss2 egauss3 egeom egeom1 egeom2 egeom3
    ehal ehal1 ehal2 ehal3 eimprop eimprop1 eimprop2 eimprop3 eimptor
    eimptor1 eimptor2 eimptor3 elj elj1 elj2 elj3 embed emetal emetal1
    emetal2 emetal3 emm3hb emm3hb1 emm3hb2 emm3hb3 empole empole1 empole2
    empole3 energi energy eopbend eopbend1 eopbend2 eopbend3 eopdist
    eopdist1 eopdist2 eopdist3 epitors epitors1 epitors2 epitors3 epolar
    epolar1 epolar2 epolar3 erepel erepel1 erepel2 erepel3 erf erxnfld
    erxnfld1 erxnfld2 erxnfld3 esolv esolv1 esolv2 esolv3 estrbnd
    estrbnd1 estrbnd2 estrbnd3 estrtor estrtor1 estrtor2 estrtor3 etors
    etors1 etors2 etors3 etortor etortor1 etortor2 etortor3 eurey eurey1
    eurey2 eurey3 evcorr ewald exfield expol extfld extra extra1 extra2
    extra3 faces fatal fft fft3d fftpack field fields files final flatten
    fracs freeunit freeze geometry getarc getcart getdcd getint getkey
    getmol getmol2 getnumb getpdb getprm getref getstring gettext getword
    getxyz ghmcstep gkstuf gradient gradrgd gradrot group groups grpline
    gyrate hescut hessian hessn hessrgd hessrot hpmf hybrid ielscf image
    impose improp imptor induce inertia inform initatom initial initneck
    initprm initres initrot insert inter invbeta invert iounit jacobi
    kanang kangang kangle kangs kangtor kantor katom katoms kbond kbonds
    kcflux kcharge kchgflx kchgtrn kchrge kcpen kctrn kdipol kdipole
    kdisp kdsp kewald kexpl kexpol kextra keys kgeom khbond kimprop
    kimptor kinetic kiprop kitors kmetal kmpole kmulti kopbend kopbnd
    kopdist kopdst korbit korbs kpitor kpitors kpolar kpolpr kpolr krepel
    krepl ksolut ksolv kstbnd kstrbnd kstrtor ksttor ktors ktorsn ktortor
    ktrtor kundrot kurey kurybr kvdw kvdwpr kvdws lattice lbfgs light
    lights limits linmin lusolve makeint makeref makexyz math maxwell
    mdinit mdrest mdsave mdstat mdstuf mechanic merck merge minima molcul
    moldyn molecule moment moments mplpot mpole mrecip mutant mutate
    nblist neck neigh nextarg nexttext nonpol nose nspline nucleo
    number numeral numgrad ocvm omega opbend opdist openend openmp
    optinit optsave orbital orbits orient orthog output overlap params
    paths pbstuf pdb phipsi picalc piorbs pistuf pitors pme pmestuf
    pmpb polar polgrp polopt polpcg polpot poltcg polymer potent
    potfit predict pressure prmkey promo prtarc prtdyn prterr prtfrc
    prtint prtmol2 prtpdb prtprm prtseq prtuind prtvel prtxyz ptable
    qmstuf qrsolve quatfit random rattle readcart readdcd readdyn
    readgau readgdma readint readmol readmol2 readpdb readprm readseq
    readxyz refer repel replica reppot resdue respa restrn rgddyn
    rgdstep richmond rigid ring rings rmsfit rotbnd rotlist rotpole
    rxnfld rxnpot scales sdstep search sequen server setprm shakeup
    shapes shunt sigmoid simplex sizes sktstuf socket solpot solute sort
    square stodyn strbnd strtor suffix surface surfatom switch syntrn
    tarray tcgstuf temper titles tncg torphase torpot torque tors torsions
    tortor tree trimtext unionball unitcell units uprior urey urypot usage
    valfit vdw vdwpot verlet version vibs virial volume warp xtals xyzatm
    zatom zclose zcoord
)

set(_LIB "")
foreach(_FILE IN LISTS _FILES)
    list(APPEND _LIB ${TINKER_DIR}/source/${_FILE}.f)
endforeach()
add_library(tinker STATIC ${_LIB})
target_link_libraries(tinker OpenMP::OpenMP_Fortran)

install(
    TARGETS tinker
    DESTINATION ${CMAKE_INSTALL_LIBDIR}
)

set(_BINS
    alchemy analyze anneal arcedit bar correlate critical crystal
    diffuse distgeom document dynamic freefix gda intedit intxyz
    minimize minirot minrigid mol2xyz molxyz monte newton newtrot
    nucleic optimize optirot optrigid path pdbxyz polarize poledit
    potential prmedit protein pss pssrigid pssrot radial saddle scan
    sniffer spacefill spectrum superpose testgrad testhess testpair
    testpol testrot testsurf testvir timer timerot torsfit valence
    vibbig vibrate vibrot xtalfit xtalmin xyzedit xyzint xyzmol2
    xyzpdb
)

foreach(_BIN IN LISTS _BINS)
    add_executable(${_BIN} ${TINKER_DIR}/source/${_BIN}.f)
    target_link_libraries(${_BIN} tinker ${FFTW_LIB} ${FFTW_THREADED_LIB} OpenMP::OpenMP_Fortran)
    install(
        TARGETS ${_BIN}
        RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}
    )
endforeach()

# Build and 

set(TINKER_OPENMM OFF CACHE BOOL "Build Tinker with OpenMM")

if(TINKER_OPENMM)
    include(${TINKER_DIR}/cmake/TinkerOpenMM.cmake)
endif()