[75124] trunk/dports/science/pdb2pqr/Portfile
snc at macports.org
snc at macports.org
Sat Jan 15 14:34:11 PST 2011
Revision: 75124
http://trac.macports.org/changeset/75124
Author: snc at macports.org
Date: 2011-01-15 14:34:02 -0800 (Sat, 15 Jan 2011)
Log Message:
-----------
pdb2pqr:
* update to 1.7
* update to gfortran-mp-4.5
* #27910
Modified Paths:
--------------
trunk/dports/science/pdb2pqr/Portfile
Modified: trunk/dports/science/pdb2pqr/Portfile
===================================================================
--- trunk/dports/science/pdb2pqr/Portfile 2011-01-15 22:29:11 UTC (rev 75123)
+++ trunk/dports/science/pdb2pqr/Portfile 2011-01-15 22:34:02 UTC (rev 75124)
@@ -5,7 +5,7 @@
PortGroup python26 1.0
name pdb2pqr
-version 1.5
+version 1.7
categories science
maintainers bromo.med.uc.edu:howarth
description automate Poisson-Boltzmann electrostatics calculations
@@ -16,26 +16,25 @@
homepage http://pdb2pqr.sourceforge.net/
platforms darwin
master_sites sourceforge
-checksums md5 942d08e17b3987f756e3085f6ce83fbe \
- sha1 5249064cf4ebfb2291a382121ecea4d457e65e6a \
- rmd160 543545513811bae058e23cfe1f24e02eaa094b87
+checksums md5 058622cb2ca6ca12af04d4f11b272951 \
+ sha1 df2bf4303dbc64b69a20d48331386d8c08c234f1
use_parallel_build no
use_configure yes
build.cmd make
build.target all
-depends_lib port:gcc44 \
+depends_lib port:gcc45 \
port:py26-numeric
post-patch {
- reinplace "s|fort xlf95 lf95 g95|gfortran-mp-4.4|g" ${worksrcpath}/propka/configure
- reinplace "s|/usr/bin/python|${python.bin}|g" ${worksrcpath}/pdb2pka/pka.py \
- ${worksrcpath}/src/psize.py
+ reinplace "s|fort xlf95 lf95 g95|gfortran-mp-4.5|g" ${worksrcpath}/propka/configure
+ reinplace "s|/usr/bin/env python|${python.bin}|g" ${worksrcpath}/pdb2pka/pka.py
+ reinplace "s|/usr/bin/python|${python.bin}|g" ${worksrcpath}/src/psize.py
reinplace "s|-Wl,-framework -Wl,Python -bundle|${python.lib} -bundle|g" \
${worksrcpath}/configure \
${worksrcpath}/propka/configure
delete ${worksrcpath}/contrib
}
configure.args --with-max-atoms="1000000" --without-url --with-python=${python.bin} \
- -with-f77=gfortran-mp-4.4
+ -with-f77=gfortran-mp-4.5
destroot {
system "find ${worksrcpath} -name '*.o' -delete"
file mkdir ${destroot}${prefix}/share/{name}
@@ -46,4 +45,4 @@
system "echo '#!/bin/zsh -f' >| ${destroot}${prefix}/bin/propka"
system "echo '${prefix}/share/${name}/propka/propka \"\$@\"' >> ${destroot}${prefix}/bin/propka"
file attributes ${destroot}${prefix}/bin/propka -permissions a+x
-}
+}
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