path: root/yaehmop/PKGBUILD

# Maintainer: lantw44 (at) gmail (dot) com
# http://codepad.org/XEk6PJYc

pkgname=yaehmop
pkgver=3.1.0b2
pkgrel=3
pkgdesc="Yet Another extended Huckel Molecular Orbital Package (YAeHMOP)"
arch=('x86_64' 'i686')
url="http://yaehmop.sourceforge.net/"
license=('GPL')
depends=('gcc-fortran' 'readline' 'libx11' 'blas' 'lapack')

source=('http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/bind.3.1.0b2.tgz'
        'http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/viewkel.3.1.0b.tgz'
        'http://downloads.sourceforge.net/project/yaehmop/yaehmop-beta/3.1.0b2/dense_eval.3.1.0b.tgz'
        '0001-Fix-build-problems.patch'
        '0002-Fix-implicit-declaration.patch'
        '0003-Fix-hard-coded-data-path.patch')

md5sums=('5a717a1f9c5dbe6cf36de15cb3c5b6ef'
        'd629bface0f610f7a4a1b3d0305872ca'
        'aec78fae520950777b7738cf42626d99'
        '4290dcf6a1ddb040c38dbb54d8698c5b'
        '89ecc02032067fc72a576943b9a413e7'
        'f0804353cfdb4ea56c8c0c92bec0a40a')

build() {
    cd "${srcdir}/${pkgname}"
    mv ../viewkel ./
    mv ../dense_eval viewkel/
    mkdir bin
    rm -f tightbind/bind
    rm -f tightbind/utils/fit_coop
    rm -f tightbind/utils/fit_coop.o
    rm -f tightbind/utils/fit_dos
    rm -f tightbind/utils/fit_dos.o
    rm -f tightbind/utils/genutil.o
    patch -p1 < ../../0001-Fix-build-problems.patch
    patch -p1 < ../../0002-Fix-implicit-declaration.patch
    patch -p1 < ../../0003-Fix-hard-coded-data-path.patch
    cd tightbind
    make -f makefile.linux install
    cd ../viewkel
    make -f makefile.linux
    make -f makefile.linux install
    make liborbitals.a
    make libsolids.a
    make libgenutils.a
    cd dense_eval
    make
    cp -p dense_eval ../../bin
}

package() {
    mkdir -p "${pkgdir}/usr/share/${pkgname}/tightbind"
    mkdir -p "${pkgdir}/usr/share/${pkgname}/viewkel"
    cp -rp "${srcdir}/${pkgname}/bin" "${pkgdir}/usr/"
    install -m 644 \
        "${srcdir}/${pkgname}/tightbind/eht_parms.dat" \
        "${srcdir}/${pkgname}/tightbind/muller_parms.dat" \
        "${pkgdir}/usr/share/${pkgname}/tightbind"
    install -m 644 \
        "${srcdir}/${pkgname}/viewkel/new_atomic_parms.dat" \
        "${srcdir}/${pkgname}/viewkel/atomic_parms.dat" \
        "${pkgdir}/usr/share/${pkgname}/viewkel"
}