# -*- 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 PortSystem 1.0 PortGroup python 1.0 name pdb2pqr version 2.1.1 revision 1 categories science maintainers {gmail.com:howarth.at.macports @jwhowarth} description automate Poisson-Boltzmann electrostatics calculations long_description PDB2PQR is a Python software package that automates many of the \ common tasks of preparing structures for continuum electrostatics \ calculations, providing a platform-independent utility for converting \ protein files in PDB format to PQR format. homepage http://pdb2pqr.sourceforge.net/ platforms darwin master_sites sourceforge:project/pdb2pqr/pdb2pqr/pdb2pqr-${version}/ distfiles ${name}-src-${version}.tar.gz checksums rmd160 b08fc9118cc3b96f57af510829e58af14bbefe16 \ sha256 c2b14b0c95ffd76c910af108541a34beaea5f5c2e44246a61640644b2990c3cb \ size 14711417 python.default_version 27 worksrcdir ${name}-src-${version} depends_lib port:py${python.version}-numeric post-patch { fs-traverse f ${worksrcpath} { if {[file isfile ${f}] && [file extension ${f}] eq ".py"} { reinplace -E "s,(/usr/bin/python|/usr/bin/env python),${prefix}/bin/python${python.branch},g" ${f} } } } build.cmd ${prefix}/bin/python${python.branch} scons/scons.py build.target build.args BUILD_PDB2PKA=True test.run yes test.cmd ${prefix}/bin/python${python.branch} scons/scons.py test.target complete-test pre-destroot { fs-traverse f ${worksrcpath} { if {[file isfile ${f}] && [file extension ${f}] eq ".pyc"} { delete ${f} } } foreach f {build_config.py pdb2pqr.py.in tools SConscript-error.py SConscript-install.py SConscript-main.py SConscript scons site_scons} { delete ${worksrcpath}/${f} } } destroot { move ${worksrcpath} ${destroot}${prefix}/share/${name} system "echo '#!/bin/zsh -f' >| ${destroot}${prefix}/bin/pdb2pqr" system "echo '${prefix}/bin/python${python.branch} ${prefix}/share/${name}/pdb2pqr.py \"\$@\"' >> ${destroot}${prefix}/bin/pdb2pqr" file attributes ${destroot}${prefix}/bin/pdb2pqr -permissions a+x file attributes ${destroot}${prefix}/share/${name}/propka30/propka.py -permissions a+x system "echo '#!/bin/zsh -f' >| ${destroot}${prefix}/bin/propka" system "echo '${prefix}/share/${name}/propka30/propka.py \"\$@\"' >> ${destroot}${prefix}/bin/propka" file attributes ${destroot}${prefix}/bin/propka -permissions a+x } universal_variant no