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<title>[141999] trunk/dports/science/octopus</title>
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<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/141999">141999</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2015-11-01 11:43:17 -0800 (Sun, 01 Nov 2015)</dd>
</dl>
<h3>Log Message</h3>
<pre>octopus:
* Specify paths for FFTW, Sparskit, and ScaLAPACK to ensure correct libraries are linked.
* Add variants for PFFT, ARPACK, PARPACK, and ParMETIS.
* Correct patch for configure to enable use of external METIS with ParMETIS, and remove an unnecessary change.</pre>
<h3>Modified Paths</h3>
<ul>
<li><a href="#trunkdportsscienceoctopusPortfile">trunk/dports/science/octopus/Portfile</a></li>
<li><a href="#trunkdportsscienceoctopusfilespatchconfigurediff">trunk/dports/science/octopus/files/patch-configure.diff</a></li>
</ul>
</div>
<div id="patch">
<h3>Diff</h3>
<a id="trunkdportsscienceoctopusPortfile"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/octopus/Portfile (141998 => 141999)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/octopus/Portfile 2015-11-01 19:16:26 UTC (rev 141998)
+++ trunk/dports/science/octopus/Portfile 2015-11-01 19:43:17 UTC (rev 141999)
</span><span class="lines">@@ -36,7 +36,7 @@
</span><span class="cx"> depends_lib port:libxc port:fftw-3 port:gsl
</span><span class="cx"> # openblas or accelerate/veclibfort instead of atlas?
</span><span class="cx">
</span><del>-configure.args --with-libxc-prefix=${prefix} \
</del><ins>+configure.args --with-libxc-prefix=${prefix} --with-fft-lib="-L${prefix}/lib -lfftw3" \
</ins><span class="cx"> --disable-gdlib --without-sparskit --with-netcdf-prefix=no \
</span><span class="cx"> --with-etsf-io-prefix=no --with-berkeleygw-prefix=no \
</span><span class="cx"> --with-arpack=no --with-parpack=no --with-feast=no \
</span><span class="lines">@@ -126,6 +126,7 @@
</span><span class="cx">
</span><span class="cx"> variant sparskit description {Build with support for SPARSKIT propagators} {
</span><span class="cx"> configure.args-delete --without-sparskit
</span><ins>+ configure.args-append --with-sparskit=${prefix}/lib/libskit.a
</ins><span class="cx"> depends_lib-append port:sparskit
</span><span class="cx"> }
</span><span class="cx">
</span><span class="lines">@@ -137,7 +138,7 @@
</span><span class="cx"> variant scalapack description {Build with ScaLAPACK} {
</span><span class="cx"> configure.args-delete --with-blacs=no
</span><span class="cx"> configure.args-delete --with-scalapack=no
</span><del>- configure.args-append --with-blacs=-lscalapack
</del><ins>+ configure.args-append --with-blacs=${prefix}/lib/libscalapack.dylib
</ins><span class="cx"> depends_lib-append port:scalapack
</span><span class="cx">
</span><span class="cx"> if {![mpi_variant_isset]} {
</span><span class="lines">@@ -172,6 +173,50 @@
</span><span class="cx"> configure.args-append --with-blas=-lopenblas
</span><span class="cx"> }
</span><span class="cx">
</span><ins>+variant pfft description {Build with PFFT} {
+ depends_lib-append port:pfft
+ configure.args-delete --with-pfft-prefix=no
+ configure.args-append --with-pfft-prefix=${prefix} --with-mpifftw-prefix=${prefix}
+
+ if {![mpi_variant_isset]} {
+ ui_error "+pfft requires an MPI variant. Choose +mpich, +mpich_devel, +openmpi, or +openmpi_devel."
+ return -code error "+pfft requires an MPI variant."
+ }
+ mpi.enforce_variant pfft
+}
+
+variant arpack description {Build with ARPACK for complex-scaling calculations} {
+ depends_lib-append port:arpack
+ configure.args-delete --with-arpack=no
+ configure.args-append --with-arpack=${prefix}/lib/libarpack.dylib
+}
+
+variant parpack requires arpack description {Build with PARPACK for complex-scaling calculations} {
+ configure.args-delete --with-parpack=no
+ configure.args-append --with-parpack=${prefix}/lib/libparpack.dylib
+
+ if {![mpi_variant_isset]} {
+ ui_error "+parpack requires an MPI variant. Choose +mpich, +mpich_devel, +openmpi, or +openmpi_devel."
+ return -code error "+parpack requires an MPI variant."
+ }
+ mpi.enforce_variant parpack
+}
+
+# there is not much value in having a stand-alone metis variant, since it is a built-in library in octopus
+variant parmetis description {Build with ParMETIS for parallel domain decomposition calculation} {
+ depends_lib-append port:parmetis
+ require_active_variants metis single
+ configure.args-delete --with-metis-prefix=no
+ configure.args-delete --with-parmetis-prefix=no
+ configure.args-append --with-metis-prefix=${prefix} --with-parmetis-prefix=${prefix}
+
+ if {![mpi_variant_isset]} {
+ ui_error "+parmetis requires an MPI variant. Choose +mpich, +mpich_devel, +openmpi, or +openmpi_devel."
+ return -code error "+parmetis requires an MPI variant."
+ }
+ mpi.enforce_variant parmetis
+}
+
</ins><span class="cx"> livecheck.type regex
</span><span class="cx"> livecheck.url ${homepage}/wiki/index.php/Main_Page
</span><span class="cx"> livecheck.regex ${name} (\[0-9.\]+)
</span></span></pre></div>
<a id="trunkdportsscienceoctopusfilespatchconfigurediff"></a>
<div class="modfile"><h4>Modified: trunk/dports/science/octopus/files/patch-configure.diff (141998 => 141999)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/octopus/files/patch-configure.diff 2015-11-01 19:16:26 UTC (rev 141998)
+++ trunk/dports/science/octopus/files/patch-configure.diff 2015-11-01 19:43:17 UTC (rev 141999)
</span><span class="lines">@@ -1,35 +1,13 @@
</span><span class="cx"> --- configure 2015-10-09 12:11:54.000000000 -0400
</span><span class="cx"> +++ configure.new 2015-10-09 12:11:38.000000000 -0400
</span><del>-@@ -1582,7 +1582,7 @@
- Directory where PNFFT Fortran include files were
- installed.
- --with-pspio-prefix=DIR Directory where pspio was installed.
-- --with-metis-prefix Directory where external METIS library was installed
-+ --with-metis-prefix=DIR Directory where external METIS library was installed
- (must be single-precision)
- --with-parmetis-prefix Directory where ParMETIS library was installed
</del><ins>+@@ -12674,6 +12674,10 @@
</ins><span class="cx">
</span><del>-@@ -12691,11 +12691,11 @@
-
-
- case $with_metis_prefix in
-- no ) acx_external_metis=disabled ;;
-+ no ) acx_external_metis=no ;;
- "") with_metis_prefix="/usr" ;;
- esac
-
-- if test x"$acx_external_metis" != xdisabled; then
-+ if test x"$acx_external_metis" != xno; then
-
- acx_metis_save_CFLAGS="$CFLAGS"
- acx_metis_save_LIBS="$LIBS"
-@@ -12775,6 +12775,9 @@
-
</del><span class="cx"> CFLAGS="$acx_metis_save_CFLAGS"
</span><span class="cx"> LIBS="$acx_metis_save_LIBS"
</span><span class="cx"> + else
</span><span class="cx"> + { $as_echo "$as_me:${as_lineno-$LINENO}: result: disabled" >&5
</span><span class="cx"> +$as_echo "disabled" >&6; }
</span><ins>++ acx_external_metis=no
</ins><span class="cx"> fi
</span><span class="cx">
</span><span class="cx"> if test x"$acx_external_metis" = xno ; then
</span></span></pre>
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