[144400] trunk/dports/science/berkeleygw

[dstrubbe at macports.org]

Revision: 144400
          https://trac.macports.org/changeset/144400
Author:   dstrubbe at macports.org
Date:     2016-01-07 13:20:57 -0800 (Thu, 07 Jan 2016)
Log Message:
-----------
berkeleygw: Update to 1.1-beta2. Patches no longer needed. Some comments.

Modified Paths:
--------------
    trunk/dports/science/berkeleygw/Portfile

Removed Paths:
-------------
    trunk/dports/science/berkeleygw/files/

Modified: trunk/dports/science/berkeleygw/Portfile
===================================================================
--- trunk/dports/science/berkeleygw/Portfile	2016-01-07 16:47:19 UTC (rev 144399)
+++ trunk/dports/science/berkeleygw/Portfile	2016-01-07 21:20:57 UTC (rev 144400)
@@ -5,7 +5,7 @@
 PortGroup           mpi 1.0
 
 name                berkeleygw
-version             1.0.6
+version             1.1-beta2
 categories          science
 platforms           darwin
 license             BSD
@@ -18,8 +18,8 @@
 homepage            http://www.berkeleygw.org
 master_sites        http://www.berkeleygw.org/releases
 
-checksums           rmd160  7d4861abdc7592a0768420df2fd9014918de8bd4 \
-                    sha256  8912a5654d2b343689ec6c0ccd6b355ad336d04e46592684a1125573a6544ea7
+checksums           rmd160  7e1ce392da45282ef878ed1a53b34184d96c7ca2 \
+                    sha256  83deea17ccbd50e9e505f69fadf858595793f9b853ec012722659100d5cf8885
 
 distfiles           BGW-${version}.tar.gz
 
@@ -27,6 +27,8 @@
                     port:fftw
 # fftw port always has a Fortran variant
 
+# WHAT DO WE DO WHEN meaning of 'gfortran' is updated? No record... Must rename to gfortran5 etc.
+
 # fine for C and C++, but not for cpp on Fortran here
 compiler.blacklist  *clang*
 
@@ -40,6 +42,10 @@
 compilers.choose    fc cc cxx cpp
 mpi.setup           require_fortran -dragonegg -openmpi -openmpi_devel -gcc5 -gcc6
 
+# we only use llvm (if at all) for cpp. it should not be a lib dependency. not sure how exactly to do this generally...
+#depends_lib-delete  port:llvm-gcc42
+#depends_build-append  port:llvm-gcc42
+
 if {[mpi_variant_isset]} {
     depends_lib-append  port:scalapack
 }
@@ -47,8 +53,7 @@
 # fftw is not universal
 universal_variant   no
 
-patchfiles          patch-testsuite-Silane-PARATEC-Silane.test.diff \
-                    patch-Common-common-rules.mk.diff
+# FIXME: add options for fftw-3, hdf5, OpenBLAS(-devel)/accelerate; threads; debug
 
 # FIXME: this unnecessarily enforces scalapack also had same C compiler as we are using.
 if {[mpi_variant_isset]} {
@@ -66,9 +71,15 @@
 
 test.run            yes
 
+# refrain from trying to build anything as might be enabled by extra stuff in MATHFLAG
+test.args       MATHFLAG=""
+
+# known problems to be fixed: Graphene incorrectly has kernel_k_interpolation.
+# Si2-SAPO/sapo.inp has pointer being freed was not allocated
+
 pre-test {
     if {[mpi_variant_isset]} {
-        test.args           TESTSCRIPT="MPIEXEC=${prefix}/bin/${mpi.exec} make check-parallel"
+        test.args-append    TESTSCRIPT="MPIEXEC=${prefix}/bin/${mpi.exec} make check-parallel"
         test.target         check-jobscript
 
         if {![catch {sysctl hw.ncpu} ncpus]} {
@@ -84,11 +95,9 @@
     For the purposes of record-keeping and support, please register an account at www.berkeleygw.org.
 }
 
-# more options that could be added: threads, OpenBLAS, Accelerate
-
 pre-build {
     build.args      LINK="${configure.fc}" CC_COMP=${configure.cxx} C_COMP=${configure.cc} C_LINK=${configure.cxx} \
-                    LAPACKLIB="-L${prefix}/lib/ -lsatlas"
+                    LAPACKLIB="-L${prefix}/lib/ -lsatlas" MATHFLAG="" FFTWLIB="-L${prefix}/lib/ -ldfftw"
 
     # +g95 must be working in conjunction with +llvm
     if {[variant_isset g95]} {
@@ -110,6 +119,7 @@
     }
 }
 
+livecheck.type      none
 # This is broken currently due to changes in the settings to the code's webpage.
 #livecheck.type      regex
 #livecheck.url       ${homepage}/?q=node/6
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