85 lines
2.2 KiB
Bash
85 lines
2.2 KiB
Bash
# Copyright 1999-2011 Gentoo Foundation
|
|
# Distributed under the terms of the GNU General Public License v2
|
|
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0117.ebuild,v 1.4 2011/06/29 11:11:20 jlec Exp $
|
|
|
|
EAPI=4
|
|
|
|
inherit base fortran-2 flag-o-matic toolchain-funcs versionator
|
|
|
|
MY_PV="$(get_version_component_range 1-2)_source_v${PV}"
|
|
|
|
DESCRIPTION="Macromolecular crystallographic refinement program"
|
|
HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac"
|
|
SRC_URI="
|
|
${HOMEPAGE}/data/refmac_experimental/${PN}${MY_PV}.tar.gz
|
|
test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
|
|
|
|
SLOT="0"
|
|
LICENSE="ccp4"
|
|
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
|
|
IUSE="test"
|
|
|
|
RDEPEND="
|
|
!sci-chemistry/makecif
|
|
>=sci-libs/ccp4-libs-6.1.3-r7
|
|
sci-libs/mmdb
|
|
>sci-libs/monomer-db-1
|
|
virtual/blas
|
|
virtual/fortran
|
|
virtual/lapack"
|
|
DEPEND="${RDEPEND}"
|
|
|
|
FORTRAN_STANDARD="77 90"
|
|
|
|
S="${WORKDIR}"
|
|
|
|
PATCHES=(
|
|
"${FILESDIR}"/5.6.0116-allow-dynamic-linking.patch
|
|
)
|
|
|
|
src_prepare() {
|
|
base_src_prepare
|
|
use test && epatch "${FILESDIR}"/5.5-test.log.patch
|
|
[[ ${FC} == *gfortran* ]] && \
|
|
append-fflags -fno-second-underscore && \
|
|
append-cflags -DGFORTRAN -DPROTOTYPE && \
|
|
append-libs -lgfortran -lgfortranbegin -lstdc++
|
|
[[ ${FC} == *ifort* ]] && \
|
|
append-libs -lstdc++
|
|
}
|
|
|
|
src_compile() {
|
|
emake \
|
|
FC=$(tc-getFC) \
|
|
CC=$(tc-getCC) \
|
|
CXX=$(tc-getCXX) \
|
|
COPTIM="${CFLAGS}" \
|
|
FOPTIM="${FFLAGS:- -O2}" \
|
|
VERSION="" \
|
|
XFFLAGS="-fwhole-file" \
|
|
XCFLAGS="" \
|
|
LLIBCCP="-lccp4f -lccp4c -lccif $(pkg-config --libs mmdb)" \
|
|
LLIBLAPACK="$(pkg-config --libs lapack blas)" \
|
|
LLIBOTHERS="${LIBS}"
|
|
}
|
|
|
|
src_test() {
|
|
einfo "Starting tests ..."
|
|
source "${EPREFIX}/etc/profile.d/40ccp4.setup.sh"
|
|
export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}"
|
|
export CCP4_TEST="${WORKDIR}"/test-framework
|
|
export CCP4_SCR="${T}"
|
|
ln -sf refmac "${S}"/refmac5
|
|
sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb
|
|
ccp4-run-thorough-tests -v test_refmac5 || die
|
|
}
|
|
|
|
src_install() {
|
|
for i in refmac libcheck FreeTwin header2matr; do
|
|
exeinto /usr/libexec/ccp4/bin/
|
|
doexe ${i}
|
|
dosym ../libexec/ccp4/bin/${i} /usr/bin/${i}
|
|
done
|
|
dosym refmac /usr/bin/refmac5
|
|
dosym refmac /usr/libexec/ccp4/bin/refmac5
|
|
}
|