# -*- 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 python 1.0 PortGroup github 1.0 github.setup theochem horton 2.0.0 name py-horton version 2.0.0 platforms darwin license GPL-3+ categories-append chemistry maintainers mcmaster.ca:yangx59 description HORTON is a quantum chemistry program written primarily in Python language. long_description ${description} It can serve as a stand-alone program for electronic structure calculation (HF, DFT,\ Geminals, PT) extract.suffix .tar.gz homepage http://theochem.github.io/horton/ distname ${name}-${version} distfiles ${distname}${extract.suffix} checksums rmd160 bb2536bb1af8f5335e523580b44bd1b5d95c0763 \ sha256 7217637ebb36412a27fc09f08aba6e5859358fc670f440b8c3f959d45920c243 python.versions 27 if {${name} ne ${subport}} { depends_lib-append port:libint \ port:atlas \ port:py${python.version}-numpy \ port:py${python.version}-h5py \ port:py${python.version}-scipy \ port:py${python.version}-cython \ port:py${python.version}-nose \ port:py${python.version}-sympy \ port:py${python.version}-sphinx \ port:py${python.version}-matplotlib \ port:libxc pre-build { system -W ${worksrcpath}/data/refatoms "make all" file copy ${worksrcpath}/data/setup_cfgs/setup.Darwin-macport-x86_64.cfg ${worksrcpath}/setup.cfg reinplace "s|/opt/local|${prefix}|g" ${worksrcpath}/data/setup_cfgs/setup.Darwin-10.10.3-x86_64.cfg } post-destroot { ln -s ${python.prefix}/bin/horton-atomdb.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-convert.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-cpart.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-cubehead.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-esp-cost.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-esp-fit.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-esp-gen.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-esp-test.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-hdf2csv.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-wpart.py ${destroot}${prefix}/bin/ ln -s ${python.prefix}/bin/horton-entanglement.py ${destroot}${prefix}/bin/ file delete ${destroot}${prefix}/bin/horton-atomdb.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-convert.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-cpart.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-cubehead.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-esp-cost.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-esp-fit.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-esp-gen.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-esp-test.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-hdf2csv.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-wpart.py-${python.branch} file delete ${destroot}${prefix}/bin/horton-entanglement.py-${python.branch} reinplace "s|${destroot}${prefix}|${prefix}|" ${destroot}${python.pkgd}/horton/data_dir.txt } livecheck.type none } else { livecheck.type regex livecheck.regex {horton-([0-9\.]+)} }