[104099] trunk/dports/science/apbs

[larryv at macports.org]

Revision: 104099
          https://trac.macports.org/changeset/104099
Author:   larryv at macports.org
Date:     2013-03-15 17:42:36 -0700 (Fri, 15 Mar 2013)
Log Message:
-----------
apbs: Update to 1.4.0, remove need for Fortran compiler, use maloc port (#38282).

Modified Paths:
--------------
    trunk/dports/science/apbs/Portfile

Removed Paths:
-------------
    trunk/dports/science/apbs/files/

Modified: trunk/dports/science/apbs/Portfile
===================================================================
--- trunk/dports/science/apbs/Portfile	2013-03-15 23:30:07 UTC (rev 104098)
+++ trunk/dports/science/apbs/Portfile	2013-03-16 00:42:36 UTC (rev 104099)
@@ -1,74 +1,46 @@
 # -*- 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
+PortSystem              1.0
+PortGroup               cmake 1.0
 
-name                apbs
-version             1.3.0
-revision            1
-set branch          [join [lrange [split ${version} .] 0 1] .]
-categories          science
-maintainers         bromo.med.uc.edu:howarth
+name                    apbs
+version                 1.4.0
+set branch              [join [lrange [split ${version} .] 0 1] .]
+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.
+description             Adaptive Poisson-Boltzmann Solver
+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        sourceforge
-distname            apbs-${branch}-source
+homepage                http://www.poissonboltzmann.org/apbs/
+platforms               darwin
+master_sites            sourceforge:project/apbs/apbs/apbs-${version}
 
-checksums           md5     f99a505365f07f6853979cfe2ef23365 \
-                    sha1    1494f36e35f2e4b1a18d4b22516fad4948c6391f
+distname                APBS-${branch}-source
+worksrcdir              ${name}
 
-depends_lib         port:gcc45 \
-                    port:readline \
-                    port:py26-zsi
-patchfiles          apbs.diff
+checksums               rmd160  9cf903fc904de18c1ceaa571f1c8bdd145731d78 \
+                        sha256  00312320a042e283f106583a3f8b9093abbd193fe5e22ca5c615ab722ca586bd
 
-use_parallel_build  no
+depends_lib             port:maloc \
+                        port:readline
 
-use_configure       yes
+configure.args-append   -DENABLE_OPENMP:BOOL=OFF \
+                        -DENABLE_MPI:BOOL=OFF \
+                        -DCMAKE_C_FLAGS="-Ii${prefix}/include -O3 -ffast-math -g"
 
-build.cmd           make
-build.target        all
-configure.env       py_path=${python.bin} F77=gfortran-mp-4.5
-configure.args      --enable-python --with-python=${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" ${worksrcpath}/configure
-    reinplace  "s|/usr/bin/python|${python.bin}|g" ${worksrcpath}/bin/ApbsClient.py.in
-    reinplace  "s|/usr/local/apbs-${version}|${prefix}|g" ${worksrcpath}/bin/ApbsClient.py.in
-    reinplace  "s|python2.5|python2.6|g" ${worksrcpath}/bin/ApbsClient.py.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"
+    set tools ${destroot}${prefix}/share/${name}/tools
+    xinstall ${tools}/manip/psize.py ${destroot}${prefix}/bin/apbs-psize.py
+    foreach {bin} {analysis benchmark born coulomb del2dx dx2mol \
+                    dx2uhbd dxmath mergedx mergedx2 mgmesh \
+                    multivalue similarity smooth tensor2dx \
+                    uhbd_asc2bin value} {
+        xinstall ${tools}/bin/${bin} ${destroot}${prefix}/bin/apbs-${bin}
+    }
 }
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