[59806] trunk/dports/science
macsforever2000 at macports.org
macsforever2000 at macports.org
Thu Oct 22 18:51:30 PDT 2009
Revision: 59806
http://trac.macports.org/changeset/59806
Author: macsforever2000 at macports.org
Date: 2009-10-22 18:51:28 -0700 (Thu, 22 Oct 2009)
Log Message:
-----------
Added new port apbs. (#21468)
Added Paths:
-----------
trunk/dports/science/apbs/
trunk/dports/science/apbs/Portfile
trunk/dports/science/apbs/files/
trunk/dports/science/apbs/files/apbs.diff
Added: trunk/dports/science/apbs/Portfile
===================================================================
--- trunk/dports/science/apbs/Portfile (rev 0)
+++ trunk/dports/science/apbs/Portfile 2009-10-23 01:51:28 UTC (rev 59806)
@@ -0,0 +1,72 @@
+# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
+# $Id$
+
+PortSystem 1.0
+PortGroup python26 1.0
+
+name apbs
+version 1.1.0
+categories science
+maintainers bromo.med.uc.edu:howarth
+
+description APBS
+long_description APBS is a software package for the numerical solution \
+ of the Poisson-Boltzmann equation, a popular continuum \
+ model for describing electrostatic interactions between \
+ molecular solutes over a wide range of length scales.
+
+homepage http://apbs.sourceforge.net/
+platforms darwin
+master_sites http://voxel.dl.sourceforge.net/project/apbs/apbs/apbs-${version}/
+distname apbs-${version}-source
+
+checksums md5 ca31ba09714e4fc9acce91e7961569cd \
+ sha1 7274a3a896da551f2bb689bb32ea5c852cbd32bb \
+ rmd160 f03c5617067cc33cb43e425acc74a5df3374744f
+
+depends_lib port:gcc44 \
+ port:readline \
+ port:py26-zsi
+patchfiles apbs.diff
+
+use_parallel_build no
+
+use_configure yes
+
+build.cmd make
+build.target all
+configure.env py_path=${python.bin} F77=gfortran-mp-4.4
+configure.args --enable-python --with-python=${python.bin} --with-blas="-L/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A -lblas -Wl,-framework -Wl,vecLib -Wl,-undefined -Wl,dynamic_lookup" FFLAGS="-O3"
+
+post-patch {
+ reinplace "s|@PYTHON_PKGD@|${python.pkgd}|g" ${worksrcpath}/configure
+ reinplace "s|@INSTALL_DIR@|${destroot}|g" ${worksrcpath}/contrib/opal/ZSI/Makefile.in
+ reinplace "s|@PYTHON_PREFIX@|${python.prefix}|g" ${worksrcpath}/contrib/opal/ZSI/Makefile.in
+}
+
+destroot {
+ reinplace "s|always_built_SUBDIRS = maloc |always_built_SUBDIRS = |g" ${worksrcpath}/contrib/Makefile
+ reinplace "s|pmgZ aqua opal|pmgZ aqua|g" ${worksrcpath}/contrib/Makefile
+ file mkdir ${destroot}${python.pkgd}/apbs
+
+ system "cd ${worksrcpath}; make install DESTDIR=${destroot} INSTALL='install -p' CPPROG='cp -p'"
+
+ eval xinstall [glob ${worksrcpath}/contrib/opal/opal-py-1.9.3/wsdl/*.py] \
+ ${destroot}${python.pkgd}/apbs
+ eval xinstall -m 644 [glob ${worksrcpath}/src/aaa_inc/apbs/*.h] ${destroot}${prefix}/include/apbs
+
+ foreach {bin} {psize.py coulomb born} {
+ xinstall -m 755 ${worksrcpath}/tools/manip/${bin} ${destroot}${prefix}/bin/apbs-${bin}
+ }
+ foreach {bin} {mgmesh dxmath mergedx2 mergedx value uhbd_asc2bin smooth dx2mol dx2uhbd similarity \
+ multivalue benchmark analysis} {
+ xinstall -m 755 ${worksrcpath}/tools/mesh/${bin} ${destroot}${prefix}/bin/apbs-${bin}
+ }
+
+ xinstall -m 755 ${worksrcpath}/bin/ApbsClient.py ${destroot}${prefix}/bin
+
+}
+
+post-destroot {
+ system "${python.bin} -O ${python.libdir}/compileall.py -d ${python.pkgd}/apbs ${destroot}${python.pkgd}/apbs"
+}
Property changes on: trunk/dports/science/apbs/Portfile
___________________________________________________________________
Added: svn:keywords
+ Id
Added: svn:eol-style
+ native
Added: trunk/dports/science/apbs/files/apbs.diff
===================================================================
--- trunk/dports/science/apbs/files/apbs.diff (rev 0)
+++ trunk/dports/science/apbs/files/apbs.diff 2009-10-23 01:51:28 UTC (rev 59806)
@@ -0,0 +1,57 @@
+--- configure.orig 2009-04-13 11:47:41.000000000 -0700
++++ configure 2009-08-01 16:49:08.000000000 -0700
+@@ -22073,7 +22073,7 @@
+ ;;
+ darwin**)
+ PY_CC=${F77}
+- PY_LINKFLAGS="-Wl,-framework -Wl,Python -shared"
++ PY_LINKFLAGS="-Wl,-framework -Wl,Python -bundle"
+ PY_LDFLAGS="-Wl,-framework -Wl,Accelerate"
+ ;;
+ mingw*)
+@@ -22359,7 +22359,7 @@
+
+ SERVICEURL='http://ws.nbcr.net/opal/services/APBS_1.1.0'
+ PARALLELSERVICEURL='http://ws.nbcr.net/opal/services/APBS_Parallel_1.1.0'
+-SITEPKGS=${prefix}/lib/python${PY_VERSION}/site-packages
++SITEPKGS=@PYTHON_PKGD@
+
+ sed -e 's%@SITEPKGS@%'${SITEPKGS}'%' \
+ -e 's%@PACKAGE_VERSION@%'${PACKAGE_VERSION}'%' \
+--- tools/python/Makefile.in.orig 2009-04-13 11:47:40.000000000 -0700
++++ tools/python/Makefile.in 2009-08-01 16:18:40.000000000 -0700
+@@ -52,7 +52,6 @@
+ ${top_builddir}/bin/.libs/libapbsmainroutines.a \
+ ${top_builddir}/src/aaa_lib/.libs/libapbs.a \
+ ${top_builddir}/contrib/lib/libmaloc.a \
+- ${top_builddir}/contrib/blas/.libs/libapbsblas.a \
+ $(am__DEPENDENCIES_1)
+ DEFAULT_INCLUDES = -I. -I$(top_builddir)/src/aaa_inc at am__isrc@
+ depcomp =
+@@ -235,7 +234,7 @@
+ SUBDIRS = vgrid
+ _apbslib_so_SOURCES = apbslib.c
+ _apbslib_so_LINK = $(PY_CC) $(PY_LINKFLAGS) -o $@ $(PY_SHARED)
+-_apbslib_so_LDADD = ${top_builddir}/bin/.libs/libapbsmainroutines.a ${top_builddir}/src/aaa_lib/.libs/libapbs.a ${top_builddir}/contrib/lib/libmaloc.a ${top_builddir}/contrib/blas/.libs/libapbsblas.a $(PY_LDFLAGS)
++_apbslib_so_LDADD = ${top_builddir}/bin/.libs/libapbsmainroutines.a ${top_builddir}/src/aaa_lib/.libs/libapbs.a ${top_builddir}/contrib/lib/libmaloc.a $(PY_LDFLAGS)
+ all: all-recursive
+
+ .SUFFIXES:
+--- bin/Makefile.in.orig 2009-09-17 22:56:30.000000000 -0400
++++ bin/Makefile.in 2009-09-17 22:57:21.000000000 -0400
+@@ -563,10 +563,10 @@
+ uninstall-includeHEADERS uninstall-libLTLIBRARIES
+
+
+-install-data-local:
+- -cp -p ${top_apbsdir}/bin/ApbsClient.py ${prefix}/bin
+- -chmod 755 ${prefix}/bin/ApbsClient.py
+- -rm -f ${prefix}/bin/wsdl2py
++#install-data-local:
++# -cp -p ${top_apbsdir}/bin/ApbsClient.py ${prefix}/bin
++# -chmod 755 ${prefix}/bin/ApbsClient.py
++# -rm -f ${prefix}/bin/wsdl2py
+ # Tell versions [3.59,3.63) of GNU make to not export all variables.
+ # Otherwise a system limit (for SysV at least) may be exceeded.
+ .NOEXPORT:
+
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