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Diffstat (limited to 'sci-chemistry/ambertools/ambertools-1.4.ebuild')
-rw-r--r-- | sci-chemistry/ambertools/ambertools-1.4.ebuild | 133 |
1 files changed, 0 insertions, 133 deletions
diff --git a/sci-chemistry/ambertools/ambertools-1.4.ebuild b/sci-chemistry/ambertools/ambertools-1.4.ebuild deleted file mode 100644 index 5e75cdb63..000000000 --- a/sci-chemistry/ambertools/ambertools-1.4.ebuild +++ /dev/null @@ -1,133 +0,0 @@ -# Copyright 1999-2011 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI=4 - -inherit eutils fortran-2 toolchain-funcs - -DESCRIPTION="A suite for carrying out complete molecular mechanics investigations" -HOMEPAGE="http://ambermd.org/#AmberTools" -SRC_URI=" - AmberTools-${PV}.tar.bz2 - mirror://gentoo/${P}-bugfix_1-18.patch.xz" - -LICENSE="GPL-2" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="mpi openmp X" - -RESTRICT="fetch" - -RDEPEND=" - virtual/cblas - virtual/lapack - sci-libs/arpack - sci-libs/cifparse-obj - sci-chemistry/mopac7 - sci-libs/netcdf - sci-chemistry/reduce - virtual/fortran" -DEPEND="${RDEPEND} - dev-util/byacc - dev-libs/libf2c - sys-devel/ucpp" -S="${WORKDIR}/amber11" - -pkg_nofetch() { - einfo "Go to ${HOMEPAGE} and get ${A}" - einfo "Place it in ${DISTDIR}" -} - -pkg_setup() { - fortran-2_pkg_setup - if use openmp; then - tc-has-openmp || \ - die "Please select an openmp capable compiler like gcc[openmp]" - fi - AMBERHOME="${S}" -} - -src_prepare() { - epatch \ - "${WORKDIR}/${P}-bugfix_1-18.patch" \ - "${FILESDIR}/${P}-gentoo.patch" - cd AmberTools/src - rm -r arpack blas lapack fftw-2.1.5 c9x-complex cifparse netcdf pnetcdf reduce ucpp-1.3 || die -} - -src_configure() { - cd AmberTools/src - sed -e "s:\\\\\$(LIBDIR)/arpack.a:-larpack:g" \ - -e "s:\\\\\$(LIBDIR)/lapack.a:$(pkg-config lapack --libs) -lclapack:g" \ - -e "s:\\\\\$(LIBDIR)/blas.a:$(pkg-config blas cblas --libs):g" \ - -e "s:\\\\\$(LIBDIR)/libdrfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \ - -e "s:\\\\\$(LIBDIR)/libdfftw.a:${EPREFIX}/usr/$(get_libdir)/libdrfftw.a:g" \ - -e "s:CFLAGS=:CFLAGS=${CFLAGS} -DBINTRAJ :g" \ - -e "s:FFLAGS=:FFLAGS=${FFLAGS} :g" \ - -e "s:LDFLAGS=$ldflags:LDFLAGS=${LDFLAGS}:g" \ - -e "s:fc=g77:fc=$(tc-getFC):g" \ - -e "s:NETCDFLIB=\$netcdflib:NETCDFLIB=$(pkg-config netcdf --libs):g" \ - -e "s:NETCDF=\$netcdf:NETCDF=netcdf.mod:g" \ - -e "s:-O3::g" \ - -i configure || die - sed -e "s:arsecond_:arscnd_:g" \ - -i sff/time.c \ - -i sff/sff.h \ - -i sff/sff.c || die - sed -e "s:\$(NAB):\$(NAB) -lrfftw:g" \ - -i nss/Makefile || die - - local myconf - - use X || myconf="${myconf} -noX11" - - for x in mpi openmp; do - use ${x} && myconf="${myconf} -${x}" - done - - ./configure \ - ${myconf} \ - -nobintraj \ - gnu -# $(expr match "$(tc-getCC)" '.*\([a-z]cc\)') -} - -src_compile() { - cd AmberTools/src - emake || die -} - -src_install() { - for x in bin/* - do dobin ${x} || die - done - rm "${ED}/usr/bin/yacc" - dobin AmberTools/src/antechamber/mopac.sh - sed -e "s:\$AMBERHOME/bin/mopac:mopac7:g" \ - -i "${ED}/usr/bin/mopac.sh" || die - # Make symlinks untill binpath for amber will be fixed - dodir /usr/share/${PN}/bin - cd "${ED}/usr/bin" - for x in * - do dosym /usr/bin/${x} /usr/share/${PN}/bin/${x} - done - cd "${S}" -# sed -e "s:\$AMBERHOME/dat:\$AMBERHOME/share/ambertools/dat:g" \ -# -i "${ED}/usr/bin/xleap" \ -# -i "${ED}/usr/bin/tleap" || die - dodoc doc/AmberTools.pdf doc/leap_pg.pdf - dolib.a lib/* - insinto /usr/include/${PN} - doins include/* - insinto /usr/share/${PN} - doins -r dat - cd AmberTools - doins -r benchmarks - doins -r examples - doins -r test - cat >> "${T}"/99ambertools <<- EOF - AMBERHOME="${EPREFIX}/usr/share/ambertools" - EOF - doenvd "${T}"/99ambertools -} |