summaryrefslogtreecommitdiff
blob: 8d870d36382c7e7d0c0ab5ccd57cf7c6e4b063f3 (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
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
# Copyright 1999-2010 Gentoo Foundation
# Distributed under the terms of the GNU General Public License v2
# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/apbs-1.3-r1.ebuild,v 1.2 2010/12/16 08:55:54 jlec Exp $

EAPI="3"

PYTHON_DEPEND="python? 2"

inherit autotools eutils flag-o-matic python toolchain-funcs versionator

MY_PV=$(get_version_component_range 1-3)
MY_P="${PN}-${MY_PV}"

DESCRIPTION="Software for evaluating the electrostatic properties of nanoscale biomolecular systems"
HOMEPAGE="http://apbs.sourceforge.net/"
SRC_URI="mirror://sourceforge/${PN}/${P}-source.tar.gz"

SLOT="0"
LICENSE="BSD"
IUSE="arpack doc fetk mpi openmp python tools"
KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"

DEPEND="
	dev-libs/maloc[mpi=]
	virtual/blas
	sys-libs/readline
	arpack? ( sci-libs/arpack )
	fetk? (
		media-libs/sg
		sci-libs/amd
		sci-libs/punc
		sci-libs/mc
		sci-libs/gamer
		sci-libs/umfpack
		sci-libs/superlu )
	mpi? ( virtual/mpi )"
RDEPEND="${DEPEND}"

S="${WORKDIR}"/"${MY_P}-source"

pkg_setup() {
	use python && python_set_active_version 2
	if use mpi && use python; then
		einfo "mpi and python support are incompatible"
		einfo "Disabling USE=python"
	fi
	if [[ -z ${MAXMEM} ]]; then
		einfo "You can specify the max amount of RAM used"
		einfo "by setting MAXMEM=\"your size in MB\""
	else
		einfo "Settings max memory usage to ${MAXMEM} MB"
	fi
}

src_prepare() {
	rm -rf contrib/{blas,maloc,opal,zlib} || die
	find . -name "._*" -exec rm -f '{}' \;
	epatch \
		"${FILESDIR}"/${P}-openmp.patch \
		"${FILESDIR}"/${PN}-1.2.1b-install-fix.patch \
		"${FILESDIR}"/${P}-contrib.patch \
		"${FILESDIR}"/${P}-link.patch \
		"${FILESDIR}"/${PN}-1.2.1b-autoconf-2.64.patch \
		"${FILESDIR}"/${P}-shared.patch \
		"${FILESDIR}"/${PN}-1.2.1b-multilib.patch \
		"${FILESDIR}"/${PN}-1.2.1b-parallelbuild.patch \
		"${FILESDIR}"/${P}-mainroutines.patch \
		"${FILESDIR}"/${P}-zlib.patch \
		"${FILESDIR}"/${P}-python.patch
	sed "s:GENTOO_PKG_NAME:${PN}:g" \
		-i Makefile.am || die "Cannot correct package name"
	# this test is broken
	sed '/ion-pmf/d' -i examples/Makefile.am || die
	sed 's:libmaloc.a:libmaloc.so:g' -i configure.ac || die
	eautoreconf
}

src_configure() {
	local myconf="--docdir=${EPREFIX}/usr/share/doc/${PF}"
	use arpack && myconf="${myconf} --with-arpack=${EPREFIX}/usr/$(get_libdir)"

	# check which mpi version is installed and tell configure
	if use mpi; then
		export CC="${EPREFIX}/usr/bin/mpicc"
		export F77="${EPREFIX}/usr/bin/mpif77"

		if has_version sys-cluster/mpich; then
	 		myconf="${myconf} --with-mpich=${EPREFIX}/usr"
		elif has_version sys-cluster/mpich2; then
			myconf="${myconf} --with-mpich2=${EPREFIX}/usr"
		elif has_version sys-cluster/openmpi; then
			myconf="${myconf} --with-openmpi=${EPREFIX}/usr"
		fi
	fi || die "Failed to select proper mpi implementation"

	# we need the tools target for python
	if use python && ! use tools; then
		myconf="${myconf} --enable-tools"
	fi

	if use fetk; then
		myconf="${myconf} --with-fetk-include=${EPREFIX}/usr/include --with-fetk-library=${EPREFIX}/usr/$(get_libdir)"
	else
		myconf="${myconf} --disable-fetk"
	fi

	[[ -n ${MAXMEM} ]] && myconf="${myconf} --with-maxmem=${MAXMEM}"

	econf \
		--disable-maloc-rebuild \
		--enable-shared \
		--with-blas=-lblas \
		$(use_enable openmp) \
		$(use_enable python) \
		$(use_enable tools) \
		${myconf}
}

src_test() {
	export LC_NUMERIC=C
	cd examples && make test \
		|| die "Tests failed"
	grep -q 'FAILED' "${S}"/examples/TESTRESULTS.log && die "Tests failed"
}

src_install() {
	emake -j1 DESTDIR="${D}" install \
		|| die "make install failed"

	if use tools; then
		mv tools/mesh/{,mesh-}analysis || die
		dobin tools/mesh/* || die

		if use arpack; then
			dobin tools/arpack/* || die
		fi

		insinto /usr/share/${PN}
		doins -r tools/conversion || die
		doins -r tools/visualization/opendx || die

		dobin tools/manip/{born,coulomb} || die

		doins -r tools/matlab || die
	fi

	insinto $(python_get_sitedir)/${PN}
	doins tools/manip/*.py || die

	if use python && ! use mpi; then
		insinto $(python_get_sitedir)/${PN}
		doins tools/python/{*.py,*.pqr,*.so} || die
		doins tools/python/*/{*.py,*.so} || die
	fi

	dodoc AUTHORS INSTALL README NEWS ChangeLog \
		|| die "Failed to install docs"

	if use doc; then
		dohtml -r doc/* || die "Failed to install html docs"
	fi
}

pkg_postinst() {
	python_mod_optimize ${PN}
}

pkg_postrm() {
	python_mod_cleanup ${PN}
}