sci-chemistry/mopac7/mopac7-1.15-r1.ebuild

   1 # Copyright 1999-2020 Gentoo Authors
   2 # Distributed under the terms of the GNU General Public License v2
   3
   4 EAPI=5
   5
   6 inherit autotools fortran-2 flag-o-matic toolchain-funcs
   7
   8 DESCRIPTION="Autotooled, updated version of a powerful, fast semi-empirical package"
   9 HOMEPAGE="https://sourceforge.net/projects/mopac7/"
  10 SRC_URI="
  11         http://www.bioinformatics.org/ghemical/download/current/${P}.tar.gz
  12         http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/dcart.f
  13         http://wwwuser.gwdg.de/~ggroenh/qmmm/mopac/gmxmop.f"
  14
  15 LICENSE="public-domain"
  16 SLOT="0"
  17 KEYWORDS="amd64 ppc ~x86 ~amd64-linux"
  18 IUSE="gmxmopac7 static-libs"
  19
  20 DEPEND="dev-libs/libf2c"
  21 RDEPEND="${DEPEND}"
  22
  23 src_prepare() {
  24         # Install the executable
  25         sed -i \
  26                 -e "s:noinst_PROGRAMS = mopac7:bin_PROGRAMS = mopac7:g" \
  27                 fortran/Makefile.am \
  28                 || die "sed failed: install mopac7"
  29         # Install the script to run the executable
  30         sed -i \
  31                 -e "s:EXTRA_DIST = autogen.sh run_mopac7:bin_SCRIPTS = run_mopac7:g" \
  32                 Makefile.am \
  33                 || die "sed failed: install run_mopac7"
  34
  35         eautoreconf
  36         append-fflags -std=legacy -fno-automatic
  37 }
  38
  39 src_compile() {
  40         emake
  41         if use gmxmopac7; then
  42                 einfo "Making mopac7 lib for gromacs"
  43                 mkdir "${S}"/fortran/libgmxmopac7 && cd "${S}"/fortran/libgmxmopac7
  44                 cp -f ../SIZES ../*.f "${FILESDIR}"/Makefile . || die
  45                 emake clean
  46                 cp -f "${DISTDIR}"/gmxmop.f "${DISTDIR}"/dcart.f . || die
  47                 sed "s:GENTOOVERSION:${PV}:g" -i Makefile
  48                 emake FC=$(tc-getFC)
  49                 use static-libs && emake static
  50         fi
  51 }
  52
  53 src_install() {
  54         # A correct fix would have a run_mopac7.in with @bindir@ that gets
  55         # replaced by configure, and run_mopac7 added to AC_OUTPUT in configure.ac
  56         sed -i "s:./fortran/mopac7:mopac7:g" run_mopac7 || die
  57
  58         default
  59
  60         if use gmxmopac7; then
  61                 cd "${S}"/fortran/libgmxmopac7
  62                 dolib.so libgmxmopac7.so*
  63                 use static-libs && dolib.a libgmxmopac7.a
  64         fi
  65 }