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<title>[144428] trunk/dports/science/berkeleygw/Portfile</title>
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<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/144428">144428</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2016-01-08 12:48:36 -0800 (Fri, 08 Jan 2016)</dd>
</dl>
<h3>Log Message</h3>
<pre>berkeleygw: Add +debug and +hdf5 variants. Better handling of MATHFLAG and use of -append in some places to be sure other options are not being overwritten.</pre>
<h3>Modified Paths</h3>
<ul>
<li><a href="#trunkdportsscienceberkeleygwPortfile">trunk/dports/science/berkeleygw/Portfile</a></li>
</ul>
</div>
<div id="patch">
<h3>Diff</h3>
<a id="trunkdportsscienceberkeleygwPortfile"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/berkeleygw/Portfile (144427 => 144428)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/berkeleygw/Portfile 2016-01-08 20:19:55 UTC (rev 144427)
+++ trunk/dports/science/berkeleygw/Portfile 2016-01-08 20:48:36 UTC (rev 144428)
</span><span class="lines">@@ -14,9 +14,10 @@
</span><span class="cx"> description GW/Bethe-Salpeter equation
</span><span class="cx"> long_description BerkeleyGW is a set of computer codes that calculate the quasiparticle properties \
</span><span class="cx"> and the optical responses of a large variety of materials from bulk periodic crystals \
</span><del>- to nanostructures such as slabs, wires and molecules, using many-body perturbation theory.
</del><ins>+ to nanostructures such as slabs, wires and molecules, using many-body perturbation theory \
+ (the GW approximation and Bethe-Salpeter equation).
</ins><span class="cx"> homepage http://www.berkeleygw.org
</span><del>-master_sites http://www.berkeleygw.org/releases
</del><ins>+master_sites ${homepage}/releases
</ins><span class="cx">
</span><span class="cx"> checksums rmd160 7e1ce392da45282ef878ed1a53b34184d96c7ca2 \
</span><span class="cx"> sha256 83deea17ccbd50e9e505f69fadf858595793f9b853ec012722659100d5cf8885
</span><span class="lines">@@ -45,6 +46,7 @@
</span><span class="cx"> # we only use llvm (if at all) for cpp. it should not be a lib dependency. not sure how exactly to do this generally...
</span><span class="cx"> #depends_lib-delete port:llvm-gcc42
</span><span class="cx"> #depends_build-append port:llvm-gcc42
</span><ins>+# should only get used in conjunction with +g95 anyway
</ins><span class="cx">
</span><span class="cx"> if {[mpi_variant_isset]} {
</span><span class="cx"> depends_lib-append port:scalapack
</span><span class="lines">@@ -53,7 +55,7 @@
</span><span class="cx"> # fftw is not universal
</span><span class="cx"> universal_variant no
</span><span class="cx">
</span><del>-# FIXME: add options for fftw-3, hdf5, OpenBLAS(-devel)/accelerate; threads; debug
</del><ins>+# FIXME: add options for fftw-3, OpenBLAS(-devel)/accelerate; threads
</ins><span class="cx">
</span><span class="cx"> # FIXME: this unnecessarily enforces scalapack also had same C compiler as we are using.
</span><span class="cx"> if {[mpi_variant_isset]} {
</span><span class="lines">@@ -63,7 +65,9 @@
</span><span class="cx"> configure {
</span><span class="cx"> system -W ${worksrcpath} "sed 's|/opt/local|${prefix}|' < config/generic.serial.macos.mk > arch.mk"
</span><span class="cx"> reinplace -W ${worksrcpath} "s|MATHFLAG += -DHDF5||" arch.mk
</span><del>- system -W ${worksrcpath} "echo 'HDF5LIB=' >> arch.mk"
</del><ins>+ if {![variant_isset hdf5]} {
+ system -W ${worksrcpath} "echo 'HDF5LIB=' >> arch.mk"
+ }
</ins><span class="cx"> }
</span><span class="cx">
</span><span class="cx"> build.target all-flavors
</span><span class="lines">@@ -73,9 +77,6 @@
</span><span class="cx">
</span><span class="cx"> test.run yes
</span><span class="cx">
</span><del>-# refrain from trying to build anything as might be enabled by extra stuff in MATHFLAG
-test.args MATHFLAG=""
-
</del><span class="cx"> # known problems to be fixed: Graphene incorrectly has kernel_k_interpolation.
</span><span class="cx"> # Si2-SAPO/sapo.inp has pointer being freed was not allocated
</span><span class="cx">
</span><span class="lines">@@ -98,17 +99,22 @@
</span><span class="cx"> }
</span><span class="cx">
</span><span class="cx"> pre-build {
</span><del>- build.args LINK="${configure.fc}" CC_COMP=${configure.cxx} C_COMP=${configure.cc} C_LINK=${configure.cxx} \
- LAPACKLIB="-L${prefix}/lib/ -lsatlas" MATHFLAG="" FFTWLIB="-L${prefix}/lib/ -ldfftw"
</del><ins>+ build.args-append LINK="${configure.fc}" CC_COMP=${configure.cxx} C_COMP=${configure.cc} C_LINK=${configure.cxx} \
+ LAPACKLIB="-L${prefix}/lib/ -lsatlas" FFTWLIB="-L${prefix}/lib/ -ldfftw"
</ins><span class="cx">
</span><ins>+ set mathflag ""
+ if {[variant_isset hdf5]} {
+ set mathflag "${mathflag} -DHDF5"
+ }
+
</ins><span class="cx"> # +g95 must be working in conjunction with +llvm
</span><span class="cx"> if {[variant_isset g95]} {
</span><del>- build.args-append COMPFLAG="-DG95" FCPP="${configure.cpp} -P -ansi" \
- F90free="${prefix}/bin/g95 -ffree-form -ffree-line-length-huge -fno-second-underscore" \
- MOD_OPT="-fmod="
</del><ins>+ build.args-append COMPFLAG="-DG95" FCPP="${configure.cpp} -P -ansi" \
+ F90free="${prefix}/bin/g95 -ffree-form -ffree-line-length-huge -fno-second-underscore" \
+ MOD_OPT="-fmod="
</ins><span class="cx"> # test, destroot args needed just to avoid trying to build in the test/openmp directory unnecessarily
</span><del>- test.args COMPFLAG="-DG95"
- destroot.args COMPFLAG="-DG95"
</del><ins>+ test.args-append COMPFLAG="-DG95"
+ destroot.args-append COMPFLAG="-DG95"
</ins><span class="cx"> } else {
</span><span class="cx"> # gcc is default in arch.mk so most things do not need to be modified
</span><span class="cx"> build.args-append FCPP="${configure.cpp} -ansi" \
</span><span class="lines">@@ -116,11 +122,24 @@
</span><span class="cx"> }
</span><span class="cx">
</span><span class="cx"> if {[mpi_variant_isset]} {
</span><del>- build.args-append PARAFLAG="-DMPI" MATHFLAG="-DUSESCALAPACK" C_PARAFLAG="-DPARA" \
- SCALAPACKLIB="-L${prefix}/lib/ -lscalapack"
</del><ins>+ set mathflag "${mathflag} -DUSESCALAPACK"
+ build.args-append PARAFLAG="-DMPI" C_PARAFLAG="-DPARA" SCALAPACKLIB="-L${prefix}/lib/ -lscalapack"
</ins><span class="cx"> }
</span><ins>+
+ build.args-append MATHFLAG="${mathflag}"
+ test.args-append MATHFLAG="${mathflag}"
</ins><span class="cx"> }
</span><span class="cx">
</span><ins>+variant debug description {Add debug flags for more checking and output, but slower runs.} {
+ build.args-append DEBUGFLAG="-DDEBUG -DVERBOSE" C_DEBUGFLAG="-DDEBUG"
+}
+
+variant hdf5 description {Build with HDF5 support for faster epsmat I/O} {
+ depends_lib-append port:hdf5
+ require_active_variants port:hdf5 hl
+ compilers.enforce_fortran hdf5
+}
+
</ins><span class="cx"> livecheck.type none
</span><span class="cx"> # This is broken currently due to changes in the settings to the code's webpage.
</span><span class="cx"> #livecheck.type regex
</span></span></pre>
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