blob: f5d8ee90f8e9808e81f63b7afbd05b8c271d7e45 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
|
# Copyright 1999-2012 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0119.ebuild,v 1.2 2012/10/19 10:25:51 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}${MY_PV}.tar.gz
test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
SLOT="0"
LICENSE="ccp4"
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
IUSE="test"
RDEPEND="
!sci-chemistry/makecif
>=sci-libs/ccp4-libs-6.1.3-r7
sci-libs/mmdb
>sci-libs/monomer-db-1
virtual/blas
virtual/lapack"
DEPEND="${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
dodoc *.pdf
}
|
GitWeb