# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4

PortSystem              1.0
PortGroup               compiler_blacklist_versions 1.0
PortGroup               cmake 1.0
PortGroup               mpi 1.0
PortGroup               github 1.0

cmake.out_of_source     yes
name                    apbs

categories              science
license                 BSD
maintainers             nomaintainer

description             Adaptive Poisson-Boltzmann Solver
long_description        APBS is a software package for the numerical \
                        solution of the Poisson-Boltzmann equation, \
                        a popular continuum model for describing \
                        electrostatic interactions between molecular \
                        solutes over a wide range of length scales.

github.setup            Electrostatics apbs-pdb2pqr d4e78c62e6a07f92c26924318d83a159fa6af063
version                 1.4.1
homepage                http://www.poissonboltzmann.org
worksrcdir              ${worksrcdir}/apbs
revision                6

# stealth update; remove for next version
dist_subdir             ${name}/${version}_1
checksums               rmd160  09ffa6a90c190eb4e584934519c8cbd6229fc7b8 \
                        sha256  3c3e6914a1a69c27d54d9d9ea7ffd1072e3bc82209971289f0a8a7964fcdf82b \
                        size    37120958

depends_lib             port:maloc \
                        port:readline

# dependencies are not managed correctly within this code, so errors such as from -lapbs_geoflow might occur
# how to solve: first 'make apbs_geoflow', then 'make all'
use_parallel_build no

configure.optflags      -O3 -ffast-math
configure.args-append   -DENABLE_OPENMP:BOOL=OFF \
                        -DENABLE_BEM=OFF \
                        -DCMAKE_C_COMPILER_ARG1:STRING="-I${worksrcpath}/include ${configure.cflags}" \
                        -DCMAKE_CXX_COMPILER_ARG1:STRING="-I${worksrcpath}/include ${configure.cxxflags} -stdlib=libc++"

# otherwise obsolete subport installation will fail on patch phase and not get to pre-configure error about replacement
if {${subport} eq ${name}} {
    patchfiles              patch-CMakeLists.txt.diff patch-Eigen-include-path.diff patch-contrib-tabipb-CMakeLists.txt.diff patch-pbsolvercz.cpp.diff
    if {[mpi_variant_isset]} {
        patchfiles-append   patch-tests-apbs_tester.py.diff
    }
}

test.run  yes
test {
    ln ${worksrcpath}/tools/manip/inputgen.py ${worksrcpath}/tests/
    ln ${worksrcpath}/tools/manip/psize.py    ${worksrcpath}/tests/

    if {[mpi_variant_isset]} {
        reinplace "s|mpiexec|\"${mpi.exec}\", \"-n\", \"${build.jobs}\"|" ${worksrcpath}/tests/apbs_tester.py
    }
    
    system -W ${worksrcpath}/tests "python apbs_tester.py"
    system -W ${worksrcpath}/tests "cat test.log"
    system -W ${worksrcpath}/tests "if grep FAILED test.log; then echo \"FAIL\"; exit 1; fi"
}

# Some cmake tests will fail with "error: unrecognized option '-arch'" from gcc 4.6 and earlier. Same with dragonegg based on it.
# llvm-gcc-4.2 will fail to build with: error: unrecognized command line option "-std=c++0x"
# It comes with clang for OSX 10.6 so we need to blacklist clang to prevent it being used.
compiler.blacklist      macports-gcc-4.4 macports-gcc-4.5 macports-gcc-4.6 \
    macports-dragonegg-3.4 gcc-4.2 llvm-gcc-4.2 apple-gcc-4.2 macports-llvm-gcc-4.2 {clang < 425} \
    macports-clang-3.4
# g++ will just fail to link apbs_geoflow. probably about -lstdc++ stuff. So, just use Fortran.
compilers.choose        fc
mpi.setup

configure.args-append   -DENABLE_MPI:BOOL=OFF

post-destroot {
    set tools ${destroot}${prefix}/share/${subport}/tools
    
    move ${tools}/manip/psize.py ${destroot}${prefix}/bin/apbs-psize.py
    file attributes ${destroot}${prefix}/bin/apbs-psize.py \
        -permissions 0755

    foreach {bin} [glob -tails -dir ${tools}/bin *] {
        move ${tools}/bin/${bin} ${destroot}${prefix}/bin/apbs-${bin}
        file attributes ${destroot}${prefix}/bin/apbs-${bin} \
            -permissions 0755
    }
}

pre-configure {
    if {[mpi_variant_isset]} {
        configure.args-delete   -DENABLE_MPI:BOOL=OFF
        configure.args-append   -DENABLE_MPI:BOOL=ON \
            -DMPI_C_COMPILER=${mpi.cc} \
            -DMPI_CXX_COMPILER=${mpi.cxx}
    }
}

variant bem description {Build with support for Boundary Element Method} {
    configure.args-delete  -DENABLE_BEM=OFF
    configure.args-append  -DENABLE_BEM=ON

    if {![fortran_variant_isset]} {
        ui_error "+bem requires a Fortran variant, e.g. +gccX or +g95."
        return -code error "+bem requires a Fortran variant."
    }

    # BEM looks for 'gfortran', hard-coded, and configure fails without it if BEM is enabled, with a syntax error
    #CMake Error at CMakeLists.txt:217 (get_filename_component):
    #  get_filename_component called with incorrect number of arguments
    post-patch {
        # -lstdc++ does not seem necessary and may cause trouble; specifying full paths avoid possible use of -ltabip from an earlier installation in ${prefix}
        reinplace "s|-L\${LIBGFORTRAN_PATH} -lgfortran -ltabipb -lstdc\+\+|${compilers.libfortran} ${worksrcpath}/lib/libtabipb.a|" ${worksrcpath}/CMakeLists.txt
        # provide this information to subsidiary cmake command run in tabipb directory during build phase
        reinplace "s|CMAKE_ARGS|CMAKE_ARGS -DCMAKE_Fortran_COMPILER:STRING=${configure.fc}|" ${worksrcpath}/CMakeLists.txt
        reinplace "s|FCFLAGS|${configure.fcflags}|g" ${worksrcpath}/contrib/tabipb/CMakeLists.txt
    }
}

# check for real releases, not github commits
livecheck.type          regex
livecheck.version       ${version}
livecheck.url           https://apbs-pdb2pqr.readthedocs.io/en/latest/downloads.html
livecheck.regex         APBS (\[0-9.\]+)