# -*- 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: Portfile 130949 2015-01-04 06:00:49Z sean@macports.org $ PortSystem 1.0 PortGroup compilers 1.0 name wannier90 version 2.0.0 categories science platforms darwin license GPL-2+ maintainers dstrubbe description A Tool for Obtaining Maximally-Localised Wannier Functions long_description Wannier90 uses inputs from an electronic-structure code \ to transform the Bloch orbitals of a crystal into \ maximally-localised Wannier functions. Interfaces exist \ for various density-functional theory codes. homepage http://www.wannier.org/ master_sites ${homepage}code/ checksums rmd160 58a58f75fd9ebb08965f7c87dd9fdb90dbaa20fc \ sha1 1d257c542327cdcf7481450170fb5887a90673a0 # TODO: enable use of Accelerate instead (will need f2c or veclibfort) depends_lib port:atlas # fixes dependencies to enable parallel build patchfiles patch-utility-w90pov-Makefile.diff configure { file copy ${worksrcpath}/config/make.sys.macosx ${worksrcpath}/make.sys } # TODO: enable use of MPI pre-build { build.args F90=${configure.f90} FCOPTS="-O3" LDOPTS="-O3" COMMS="" MPIF90="" if {[variant_isset threads]} { build.args-append LIBS="-L${prefix}/lib -ltatlas" } else { build.args-append LIBS="-L${prefix}/lib -lsatlas" } build.target all w90pov w90vdw } use_parallel_build yes destroot { xinstall ${worksrcpath}/wannier90.x ${destroot}${prefix}/bin/ xinstall ${worksrcpath}/postw90.x ${destroot}${prefix}/bin/ xinstall ${worksrcpath}/w90chk2chk.x ${destroot}${prefix}/bin/ xinstall ${worksrcpath}/utility/w90pov/w90pov ${destroot}${prefix}/bin/ xinstall ${worksrcpath}/utility/w90vdw/w90vdw.x ${destroot}${prefix}/bin/ xinstall ${worksrcpath}/libwannier.a ${destroot}${prefix}/lib/ } compilers.choose f90 compilers.setup require_fortran variant threads description {Build with threaded ATLAS} {} test.run yes post-test { ui_notice "Examine the file ${worksrcpath}/tests/wantest.log." } livecheck.type regex livecheck.url [lindex ${master_sites} 0] livecheck.regex ${name}-(\[0-9.\]+)${extract.suffix}