| 1 | # -*- 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 |
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| 2 | # $Id$ |
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| 3 | |
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| 4 | PortSystem 1.0 |
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| 5 | PortGroup python26 1.0 |
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| 6 | |
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| 7 | name apbs |
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| 8 | version 1.1.0 |
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| 9 | categories science |
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| 10 | maintainers bromo.med.uc.edu:howarth |
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| 11 | |
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| 12 | description APBS |
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| 13 | long_description APBS is a software package for the numerical solution \ |
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| 14 | of the Poisson-Boltzmann equation, a popular continuum \ |
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| 15 | model for describing electrostatic interactions between \ |
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| 16 | molecular solutes over a wide range of length scales. |
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| 17 | |
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| 18 | homepage http://apbs.sourceforge.net/ |
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| 19 | platforms darwin |
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| 20 | master_sites http://voxel.dl.sourceforge.net/project/apbs/apbs/apbs-${version}/ |
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| 21 | distname apbs-${version}-source |
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| 22 | |
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| 23 | checksums md5 ca31ba09714e4fc9acce91e7961569cd \ |
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| 24 | sha1 7274a3a896da551f2bb689bb32ea5c852cbd32bb \ |
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| 25 | rmd160 f03c5617067cc33cb43e425acc74a5df3374744f |
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| 26 | |
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| 27 | depends_lib port:gcc44 \ |
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| 28 | port:readline |
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| 29 | |
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| 30 | patchfiles apbs.diff |
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| 31 | |
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| 32 | use_parallel_build no |
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| 33 | |
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| 34 | build.cmd make |
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| 35 | build.target all |
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| 36 | configure.env py_path=${python.bin} F77=gfortran-mp-4.4 |
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| 37 | configure.args --enable-python --with-python=${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" |
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| 38 | |
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| 39 | destroot { |
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| 40 | reinplace "s|always_built_SUBDIRS = maloc |always_built_SUBDIRS = |g" ${worksrcpath}/contrib/Makefile |
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| 41 | system "cd ${worksrcpath}; make install DESTDIR=${destroot} INSTALL='install -p' CPPROG='cp -p'" |
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| 42 | |
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| 43 | file mkdir ${destroot}${python.pkgd}/apbs |
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| 44 | eval xinstall [glob ${worksrcpath}/contrib/opal/opal-py-1.9.3/wsdl/*.py] \ |
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| 45 | ${destroot}${python.pkgd}/apbs |
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| 46 | eval xinstall -m 644 [glob ${worksrcpath}/src/aaa_inc/apbs/*.h] ${destroot}${prefix}/include/apbs |
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| 47 | |
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| 48 | foreach {bin} {psize.py coulomb born} { |
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| 49 | xinstall -m 755 ${worksrcpath}/tools/manip/${bin} ${destroot}${prefix}/bin/apbs-${bin} |
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| 50 | } |
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| 51 | foreach {bin} {mgmesh dxmath mergedx2 mergedx value uhbd_asc2bin smooth dx2mol dx2uhbd similarity \ |
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| 52 | multivalue benchmark analysis} { |
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| 53 | xinstall -m 755 ${worksrcpath}/tools/mesh/${bin} ${destroot}${prefix}/bin/apbs-${bin} |
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| 54 | } |
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| 55 | |
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| 56 | xinstall -m 755 ${worksrcpath}/bin/ApbsClient.py ${destroot}${prefix}/bin |
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| 57 | |
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| 58 | system "echo '#!${python.bin}' >| ${destroot}${prefix}/bin/wsdl2py" |
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| 59 | system "echo 'from ZSI.generate.commands import wsdl2py' >> ${destroot}${prefix}/bin/wsdl2py" |
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| 60 | system "echo 'wsdl2py()' >> ${destroot}${prefix}/bin/wsdl2py" |
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| 61 | system "chmod a+x ${destroot}${prefix}/bin/wsdl2py" |
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| 62 | |
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| 63 | file mkdir ${destroot}${python.pkgd}/ZSI |
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| 64 | system "cd ${worksrcpath}; cp -r contrib/opal/ZSI/ZSI/* ${destroot}${python.pkgd}/ZSI" |
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| 65 | } |
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| 66 | |
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| 67 | post-destroot { |
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| 68 | system "${python.bin} -O ${python.libdir}/compileall.py -d ${python.pkgd}/ZSI ${destroot}${python.pkgd}/ZSI" |
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| 69 | system "${python.bin} -O ${python.libdir}/compileall.py -d ${python.pkgd}/apbs ${destroot}${python.pkgd}/apbs" |
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| 70 | } |
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