casa-mp-base

# -*- 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           mpi 1.0

PortGroup           linear_algebra 1.0

​

name                berkeleygw

version             2.0.0

revision            3

categories          science

platforms           darwin

license             BSD

maintainers         {dstrubbe @dstrubbe}

​

description         GW/Bethe-Salpeter equation

long_description    BerkeleyGW is a set of computer codes that calculate the quasiparticle properties \

                    and the optical responses of a large variety of materials from bulk periodic crystals \

                    to nanostructures such as slabs, wires and molecules, using many-body perturbation theory \

                    (the GW approximation and Bethe-Salpeter equation).

homepage            http://www.berkeleygw.org

​

checksums           rmd160  56c3330b9f8928439b04b503f56a3df6dc3a32f0 \

                    sha256  887146cc6598a509a6d2a7b5044d12ebc5a4a2c7b028513f247fe62cf0861563 \

                    size    71864027

​

master_sites        https://berkeley.box.com/shared/static

distfiles           wkqu37wu77tll53r8t1soe6ozqja67yy.gz

# needed for case-sensitive filesystems

worksrcdir          BGW-${version}

​

depends_lib         port:fftw-3

if {![variant_isset fftw2]} {

    compilers.enforce_some_fortran  fftw-3

}

​

# May fail with +mpich +gcc5. Use +mpich +gfortran instead.

# In file included from /opt/local/include/mpich-gcc5/mpi.h:2231:0,

#                  from icm.cpp:86:

# /opt/local/include/mpich-gcc5/mpicxx.h:22:4: error: #error 'Please use the same version of GCC and g++ for compiling MPICH and user MPI programs'

#  #  error 'Please use the same version of GCC and g++ for compiling MPICH and user MPI programs'

#     ^

​

# WHAT DO WE DO WHEN meaning of 'gfortran' is updated? No record... Maybe rename to gfortran5 etc. ?

​

compilers.choose    fc cc cxx cpp

mpi.setup           require_fortran -g95

# won't compile with g95

#In file Common/timing.p.f:289

#   contains

#           1

#Error: Unexpected CONTAINS statement at (1)

​

if {[mpi_variant_isset]} {

    depends_lib-append  port:scalapack

    #FIXME: this unnecessarily enforces scalapack also had same C compiler as we are using.

    # Without this MPI consistency, a seg fault may occur.

    mpi.enforce_variant scalapack

}

​

# fftw is not universal

universal_variant   no

​

configure {