diff options
author | Justin Lecher <jlec@gentoo.org> | 2010-11-04 09:40:09 +0000 |
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committer | Justin Lecher <jlec@gentoo.org> | 2010-11-04 09:40:09 +0000 |
commit | a3525d22cba91eae5921f765e003817c3c10d3c3 (patch) | |
tree | 08ce5ce5d0f51543a901fb5ed9af7808372d6fda /sci-chemistry | |
parent | Added support for psb2pka (diff) | |
download | historical-a3525d22cba91eae5921f765e003817c3c10d3c3.tar.gz historical-a3525d22cba91eae5921f765e003817c3c10d3c3.tar.bz2 historical-a3525d22cba91eae5921f765e003817c3c10d3c3.zip |
Fix compilation of python module, fix support for zlib
Package-Manager: portage-2.2.0_alpha3/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry')
-rw-r--r-- | sci-chemistry/apbs/ChangeLog | 10 | ||||
-rw-r--r-- | sci-chemistry/apbs/apbs-1.3-r1.ebuild | 172 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.2.1b-multilib.patch | 10 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.3-python.patch | 22 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.3-shared.patch | 2 | ||||
-rw-r--r-- | sci-chemistry/apbs/files/apbs-1.3-zlib.patch | 43 |
6 files changed, 247 insertions, 12 deletions
diff --git a/sci-chemistry/apbs/ChangeLog b/sci-chemistry/apbs/ChangeLog index 410f44e06637..dc2b15fb7380 100644 --- a/sci-chemistry/apbs/ChangeLog +++ b/sci-chemistry/apbs/ChangeLog @@ -1,6 +1,14 @@ # ChangeLog for sci-chemistry/apbs # Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/ChangeLog,v 1.43 2010/11/01 17:25:22 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/apbs/ChangeLog,v 1.44 2010/11/04 09:40:09 jlec Exp $ + +*apbs-1.3-r1 (04 Nov 2010) + + 04 Nov 2010; Justin Lecher <jlec@gentoo.org> + files/apbs-1.2.1b-multilib.patch, +apbs-1.3-r1.ebuild, + +files/apbs-1.3-python.patch, files/apbs-1.3-shared.patch, + +files/apbs-1.3-zlib.patch: + Fix compilation of python module, fix support for zlib 01 Nov 2010; Justin Lecher <jlec@gentoo.org> apbs-1.3.ebuild, +files/apbs-1.3-mainroutines.patch, files/apbs-1.3-shared.patch, diff --git a/sci-chemistry/apbs/apbs-1.3-r1.ebuild b/sci-chemistry/apbs/apbs-1.3-r1.ebuild new file mode 100644 index 000000000000..f47d8c077b56 --- /dev/null +++ b/sci-chemistry/apbs/apbs-1.3-r1.ebuild @@ -0,0 +1,172 @@ +# 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 1.1 2010/11/04 09:40:09 jlec Exp $ + +EAPI="3" + +PYTHON_DEPEND="python? 2" +FORTRAN="g77 gfortran ifc" + +inherit autotools eutils flag-o-matic fortran python 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 + fortran_pkg_setup + 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} +} diff --git a/sci-chemistry/apbs/files/apbs-1.2.1b-multilib.patch b/sci-chemistry/apbs/files/apbs-1.2.1b-multilib.patch index e0637349b551..b52a629056a1 100644 --- a/sci-chemistry/apbs/files/apbs-1.2.1b-multilib.patch +++ b/sci-chemistry/apbs/files/apbs-1.2.1b-multilib.patch @@ -20,13 +20,3 @@ Respect multilib directories lib_LTLIBRARIES = libapbsmainroutines.la libapbsmainroutines_la_SOURCES = routines.c libapbsmainroutines_la_LDFLAGS = -version-info ${APBS_VERSION} ---- contrib/maloc/src/aaa_lib/Makefile.am -+++ contrib/maloc/src/aaa_lib/Makefile.am -@@ -49,7 +49,6 @@ - LIBEFENCE = - endif - --libdir = ${prefix}/lib - lib_LTLIBRARIES = libmaloc.la ${LIBEFENCE} - - libmaloc_la_SOURCES = diff --git a/sci-chemistry/apbs/files/apbs-1.3-python.patch b/sci-chemistry/apbs/files/apbs-1.3-python.patch new file mode 100644 index 000000000000..66dec34d32a9 --- /dev/null +++ b/sci-chemistry/apbs/files/apbs-1.3-python.patch @@ -0,0 +1,22 @@ +diff --git a/configure.ac b/configure.ac +index 31a0053..7301f0f 100644 +--- a/configure.ac ++++ b/configure.ac +@@ -585,6 +585,7 @@ if test x"$enable_python" != "xno"; then + PY_SHARED="-shared" + CC="${CC} -fPIC" + F77="${F77} -fPIC" ++ PY_LDFLAGS="-lpython$PY_VERSION" + ;; + irix*) + PY_SHARED="-shared" +diff --git a/tools/python/Makefile.am b/tools/python/Makefile.am +index 431640c..2c1fbea 100644 +--- a/tools/python/Makefile.am ++++ b/tools/python/Makefile.am +@@ -16,4 +16,4 @@ SUBDIRS = vgrid + noinst_PROGRAMS = _apbslib.so + _apbslib_so_SOURCES = apbslib.c + _apbslib_so_LINK = $(PY_CC) $(PY_LINKFLAGS) $(LDFLAGS) -o $@ $(PY_SHARED) +-_apbslib_so_LDADD = ${top_builddir}/bin/.libs/libapbsmainroutines.a ${top_builddir}/src/aaa_lib/.libs/libapbs.a $(PY_LDFLAGS) ${z_lib} ++_apbslib_so_LDADD = ${top_builddir}/bin/.libs/libapbsmainroutines.a ${top_builddir}/src/aaa_lib/.libs/libapbs.a $(PY_LDFLAGS) ${z_lib} @OPENMP_LIBS@ @maloc_lib@ @mc_lib@ diff --git a/sci-chemistry/apbs/files/apbs-1.3-shared.patch b/sci-chemistry/apbs/files/apbs-1.3-shared.patch index f7eb4dfc1d1f..2b6688697f5e 100644 --- a/sci-chemistry/apbs/files/apbs-1.3-shared.patch +++ b/sci-chemistry/apbs/files/apbs-1.3-shared.patch @@ -90,7 +90,7 @@ index 0064aaa..8b33f70 100644 libapbs_la_SOURCES = apbs_link.c -libapbs_la_LIBADD = ${GEN_LIBS} ${FEM_LIBS} ${MG_LIBS} ${PMGZ_LIBS} ${AQUA_LIBS} ${BLAS_LIBS} +libapbs_la_LIBADD = ${GEN_LIBS} ${FEM_LIBS} ${MG_LIBS} ${PMGZ_LIBS} ${AQUA_LIBS} ${BLAS_LIBS} \ -+ @OPENMP_LIBS@ @maloc_lib@ @mc_lib@ ++ @OPENMP_LIBS@ @maloc_lib@ @mc_lib@ @z_lib@ libapbs_la_LDFLAGS = -version-info ${APBS_VERSION} INCLUDES = -I${top_srcdir}/src/generic -I${top_srcdir}/src/mg -I${top_srcdir}/src/fem @inc_list@ diff --git a/sci-chemistry/apbs/files/apbs-1.3-zlib.patch b/sci-chemistry/apbs/files/apbs-1.3-zlib.patch new file mode 100644 index 000000000000..c7ce0bcc589e --- /dev/null +++ b/sci-chemistry/apbs/files/apbs-1.3-zlib.patch @@ -0,0 +1,43 @@ +diff --git a/configure.ac b/configure.ac +index 31a0053..7301f0f 100644 +--- a/configure.ac ++++ b/configure.ac +@@ -1052,10 +1053,10 @@ AC_ARG_ENABLE( + [zlib], + AS_HELP_STRING([--disable-zlib], [disable zlib compilation]),, + ) +-if test x"$disable_zlib" == "xno"; then ++if test x"$disable_zlib" == "xyes"; then + AC_MSG_RESULT([yes]) + zlib="zlib" +- z_lib=${contrib_path}/zlib/.libs/libz.a ++ z_lib=-lz + AC_DEFINE([HAVE_ZLIB], [], [have zlib compression enabled]) + fi + AC_SUBST(zlib) +@@ -1307,12 +1308,8 @@ AC_CONFIG_FILES([ + Makefile + + contrib/Makefile +- contrib/blas/Makefile + contrib/pmgZ/Makefile + contrib/aqua/Makefile +- contrib/opal/Makefile +- contrib/opal/ZSI/Makefile +- contrib/zlib/Makefile + + tools/Makefile + tools/mesh/Makefile +diff --git a/src/mg/vgrid.c b/src/mg/vgrid.c +index d183bb2..e0669ab 100644 +--- a/src/mg/vgrid.c ++++ b/src/mg/vgrid.c +@@ -432,7 +432,7 @@ VPUBLIC int Vgrid_gradient(Vgrid *thee, double pt[3], double grad[3]) { + /////////////////////////////////////////////////////////////////////////// */ + #ifdef HAVE_ZLIB + #define off_t long +-#include "../../contrib/zlib/zlib.h" ++#include <zlib.h> + #endif + VPUBLIC int Vgrid_readGZ(Vgrid *thee, const char *fname) { + |