[125398] trunk/dports/science/abinit

[dstrubbe at macports.org]

Revision: 125398
          https://trac.macports.org/changeset/125398
Author:   dstrubbe at macports.org
Date:     2014-09-16 14:22:10 -0700 (Tue, 16 Sep 2014)
Log Message:
-----------
abinit: Update to 7.8.2. Use MacPorts' native support for parallel builds. Enable support for libxc 2.1.0 (update to that port forthcoming) via patch to configure. The executable 'lwf' no longer exists in this version, so is removed from the install list.

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

Added Paths:
-----------
    trunk/dports/science/abinit/files/patch-configure.diff

Modified: trunk/dports/science/abinit/Portfile
===================================================================
--- trunk/dports/science/abinit/Portfile	2014-09-16 21:21:11 UTC (rev 125397)
+++ trunk/dports/science/abinit/Portfile	2014-09-16 21:22:10 UTC (rev 125398)
@@ -5,7 +5,7 @@
 PortGroup           active_variants 1.1
 
 name                abinit
-version             7.4.3
+version             7.8.2
 categories          science
 platforms           darwin
 license             GPL-3
@@ -31,8 +31,8 @@
 homepage            http://www.abinit.org
 master_sites        http://ftp.abinit.org/
 
-checksums           rmd160  6e3629a94721440f8afacbcaf2b046b5c6e9b23d \
-                    sha256  3593dc96c124c0e1ad29a5ec13e9e8f8dc391b328cf06ed461e34f5a9298b246
+checksums           rmd160  c82fcc454ab7f337728fad33ca2d563887c15cba \
+                    sha256  793b8b5698f8a4231e34e62711e7d5f56fb276aa5bb3bad8303af0ae2f74aead
 
 depends_lib         port:atlas
 
@@ -40,9 +40,13 @@
 configure.optflags  -O3
 
 build.cmd           make
-build.target        multi multi_nprocs=4
-use_parallel_build  no
+use_parallel_build  yes
 
+# We do not need to use ABINIT's own approach to parallel builds, which only is relevant if
+# the "fallbacks" are used, namely if we asked for etsf_io, libxc, wannier90, etc. support
+# but did not provide the libraries. That situation should never happen for this port.
+#build.target        multi multi_nprocs=4
+
 default_variants +etsf_io +libxc +wannier90
 if { ![variant_isset gcc46] && ![variant_isset gcc47] && ![variant_isset gcc48] } {
     if { ![variant_isset openmpi] } {
@@ -114,6 +118,9 @@
 #   No need to check compiler for fftw-3
 }
 
+# fix unnecessary rejection of libxc 2.1.0
+patchfiles patch-configure.diff
+
 pre-configure {
     if { [variant_isset etsf_io] } {
             configure.args-append  --with-trio-flavor="netcdf+etsf_io"
@@ -158,7 +165,7 @@
 destroot {
     xinstall -W ${worksrcpath}/src/98_main \
      abinit aim anaddb band2eps bsepostproc conducti cut3d \
-     fftprof ioprof kss2wfk lapackprof lwf macroave mrgddb \
+     fftprof ioprof kss2wfk lapackprof macroave mrgddb \
      mrggkk mrgscr optic ujdet vdw_kernelgen \
      ${destroot}${prefix}/bin
     if { [variant_isset atompaw] } {
@@ -262,4 +269,3 @@
 livecheck.type      regex
 livecheck.url       ${homepage}/downloads/source-packages/abinit-1/releases/index.html
 livecheck.regex     ABINIT (\[0-9.\]+)
-

Added: trunk/dports/science/abinit/files/patch-configure.diff
===================================================================
--- trunk/dports/science/abinit/files/patch-configure.diff	                        (rev 0)
+++ trunk/dports/science/abinit/files/patch-configure.diff	2014-09-16 21:22:10 UTC (rev 125398)
@@ -0,0 +1,11 @@
+--- configure.orig	2014-09-15 16:54:13.000000000 -0400
++++ configure	2014-09-15 16:54:45.000000000 -0400
+@@ -36647,7 +36647,7 @@
+ 
+         int major = -1, minor = -1;
+         xc_version(&major, &minor);
+-        if ( (major != 2) || (minor != 0) ) {
++        if ( (major != 2) || (minor >= 2) ) {
+           return 1; }
+ 
+   ;
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