[143655] trunk/dports/science/quantum-espresso

dstrubbe at macports.org dstrubbe at macports.org
Wed Dec 16 16:00:01 PST 2015


Revision: 143655
          https://trac.macports.org/changeset/143655
Author:   dstrubbe at macports.org
Date:     2015-12-16 16:00:01 -0800 (Wed, 16 Dec 2015)
Log Message:
-----------
quantum-espresso: Add CP code to the build, with a patch. Disable parallel build which may fail sometimes, pending further patching of PHonon Makefile.

Modified Paths:
--------------
    trunk/dports/science/quantum-espresso/Portfile
    trunk/dports/science/quantum-espresso/files/patch-Makefile.diff

Modified: trunk/dports/science/quantum-espresso/Portfile
===================================================================
--- trunk/dports/science/quantum-espresso/Portfile	2015-12-16 23:52:05 UTC (rev 143654)
+++ trunk/dports/science/quantum-espresso/Portfile	2015-12-17 00:00:01 UTC (rev 143655)
@@ -6,6 +6,7 @@
 
 name                quantum-espresso
 version             5.2.1
+revision            1
 categories          science
 platforms           darwin
 license             GPL-2
@@ -15,7 +16,8 @@
 
 long_description    An integrated suite of open-source computer codes for electronic-structure \
                     calculations and materials modeling at the nanoscale. It is based on density-functional \
-                    theory, plane waves, and pseudopotentials. This package will build pw, pp, ld1, upf, and ph.
+                    theory, plane waves, and pseudopotentials. \
+                    This package will build pw, pp, ld1, upf, cp, and ph.
 
 homepage            http://www.quantum-espresso.org
 # get link from http://www.qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseBrowse&frs_package_id=18
@@ -44,7 +46,8 @@
 patchfiles          patch-install-configure.diff \
                     patch-Makefile.diff \
                     patch-upftools-Makefile.diff \
-                    patch-PHonon-examples-GRID_example-run_example_3.diff
+                    patch-PHonon-examples-GRID_example-run_example_3.diff \
+                    patch-CPV-src-Makefile.diff
 
 compilers.choose    cc cpp fc
 # g95 is not compatible with OpenMP
@@ -117,7 +120,7 @@
     default_variants-append +scalapack
 }
 
-use_parallel_build  yes
+use_parallel_build no
 build.target  all-j
 # as patched, builds pw pp ld1 upf ph
 

Modified: trunk/dports/science/quantum-espresso/files/patch-Makefile.diff
===================================================================
--- trunk/dports/science/quantum-espresso/files/patch-Makefile.diff	2015-12-16 23:52:05 UTC (rev 143654)
+++ trunk/dports/science/quantum-espresso/files/patch-Makefile.diff	2015-12-17 00:00:01 UTC (rev 143655)
@@ -6,7 +6,7 @@
  #
 +
 +all-j :
-+	$(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf
++	$(MAKE) pw && $(MAKE) pp && $(MAKE) ph && $(MAKE) ld1 && $(MAKE) upf && $(MAKE) cp
 +
  pw : bindir mods liblapack libblas libs libiotk 
  	if test -d PW ; then \
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