# -*- 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
# $Id$

PortSystem          1.0
PortGroup           compilers 1.0
PortGroup           linear_algebra 1.0

name                wannier90
version             2.0.1
revision            1
categories          science
platforms           darwin
license             GPL-2+
maintainers         dstrubbe openmaintainer

description         A Tool for Obtaining Maximally-Localised Wannier Functions

long_description    Wannier90 uses inputs from an electronic-structure code \
                    to transform the Bloch orbitals of a crystal into \
                    maximally-localised Wannier functions. Interfaces exist \
                    for various density-functional theory codes.

homepage            http://www.wannier.org
master_sites        ${homepage}/code/

checksums           rmd160  357909e686b4b414d8afd8bb8ef90e71c7519708 \
                    sha1    17af3f22a2623dc4d2c183dae7a5c63a6f0941bb

# fixes dependencies to enable parallel build
patchfiles          patch-utility-w90pov-Makefile.diff \
                    patch-src-parameters.F90.diff

configure {
    file copy ${worksrcpath}/config/make.sys.macosx ${worksrcpath}/make.sys
}

# TODO: enable use of MPI
pre-build {
    build.args      F90=${configure.f90} LDOPTS="-O3" COMMS="" MPIF90="" CC=${configure.cc} CFLAGS="${configure.cflags}" \
        LIBS="-L${prefix}/lib ${linalglib}"
    if {[variant_isset g95]} {
        build.args-append FCOPTS="-O3 -fno-second-underscore"
    } else {
        build.args-append FCOPTS="-O3"
    }
    build.target    all w90pov w90vdw
}

use_parallel_build  yes

destroot {
    xinstall ${worksrcpath}/wannier90.x              ${destroot}${prefix}/bin/
    xinstall ${worksrcpath}/postw90.x                ${destroot}${prefix}/bin/
    xinstall ${worksrcpath}/w90chk2chk.x             ${destroot}${prefix}/bin/
    xinstall ${worksrcpath}/utility/w90pov/w90pov    ${destroot}${prefix}/bin/
    xinstall ${worksrcpath}/utility/w90vdw/w90vdw.x  ${destroot}${prefix}/bin/
    xinstall ${worksrcpath}/libwannier.a             ${destroot}${prefix}/lib/
}

compilers.choose    f90
compilers.setup     require_fortran

variant threads requires atlas description {Build with threaded ATLAS} {}

test.run    yes
post-test {
    system -W ${worksrcpath} "cat tests/wantest.log"
    ui_notice "Compare the 'Standard' and 'Current' values in the log to assess test runs."
}

livecheck.type      regex
livecheck.url       ${homepage}/download.html
livecheck.regex     Wannier90 \\(v(\[0-9.\]+)\\)