[gentoo-commits] proj/sci:master commit in: sci-chemistry/nmrpipe/, sci-chemistry/nmrpipe/files/

[Justin Lecher]

commit:     1807b7a45263b799afb132afba7de7187984a3e3
Author:     Justin Lecher <jlec <AT> gentoo <DOT> org>
AuthorDate: Mon Oct 28 09:01:06 2013 +0000
Commit:     Justin Lecher <jlec <AT> gentoo <DOT> org>
CommitDate: Mon Oct 28 09:01:23 2013 +0000
URL:        http://git.overlays.gentoo.org/gitweb/?p=proj/sci.git;a=commit;h=1807b7a4

sci-chemistry/nmrpipe: Add IBS extract.M macro

Package-Manager: portage-2.2.7
RepoMan-Options: --force

---
 sci-chemistry/nmrpipe/ChangeLog                    | 10 ++++++
 sci-chemistry/nmrpipe/files/extract.M              | 37 ++++++++++++++++++++++
 ...ebuild => nmrpipe-8.1.2013.218.23.09-r1.ebuild} |  3 ++
 3 files changed, 50 insertions(+)

diff --git a/sci-chemistry/nmrpipe/ChangeLog b/sci-chemistry/nmrpipe/ChangeLog
index 5ad1bee..0e66662 100644
--- a/sci-chemistry/nmrpipe/ChangeLog
+++ b/sci-chemistry/nmrpipe/ChangeLog
@@ -2,6 +2,16 @@
 # Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+  28 Oct 2013; Justin Lecher <jlec@g.o>
+  -nmrpipe-8.1.2013.218.23.09.ebuild, +nmrpipe-8.1.2013.218.23.09-r1.ebuild,
+  +files/extract.M:
+  Add IBS extract.M macro
+
+  25 Oct 2013; Justin Lecher <jlec@g.o>
+  -nmrpipe-8.1.2013.218.23.09.ebuild, +nmrpipe-8.1.2013.218.23.09-r1.ebuild,
+  +files/extract.M:
+  Add IBS extract.M macro
+
   12 Aug 2013; Justin Lecher <jlec@g.o>
   -nmrpipe-7.9.2013.021.23.09-r3.ebuild, +nmrpipe-8.1.2013.218.23.09.ebuild,
   -files/nmrpipe-7.9.2013.021.23.09-lib.patch,

diff --git a/sci-chemistry/nmrpipe/files/extract.M b/sci-chemistry/nmrpipe/files/extract.M
new file mode 100644
index 0000000..544d2fe
--- /dev/null
+++ b/sci-chemistry/nmrpipe/files/extract.M
@@ -0,0 +1,37 @@
+if (sliceCode == CODE_ARGS)
+   {
+    ArrayNum = argVal( "an" );   /* Array size of arrayed parameter */
+    SpecNum = argVal( "sn" );    /* Spectrum number to be extracted */
+    printf(" Spectrum %3.0f out of %4.0f\n",SpecNum,ArrayNum);
+   };
+
+if (sliceCode == CODE_INIT)
+   {
+    (void) setParm( fdata, NDSIZE, integer( specnum/ArrayNum ), CUR_YDIM );
+   };
+
+if (sliceCode >1)
+   {
+    exit( 0 );
+   };
+
+if (sliceCode < 0)
+   {
+    exit( 0 );
+   };
+
+
+float fid[2*size*specnum];
+float Single[4*size];
+
+(void) dReadB(inUnit,fid, 2*wordLen*size*specnum );     /* load the whole FID data in the array "fid" */
+
+offset = 4*size*(SpecNum-1);
+
+for( i = 0; i < specnum*size*2; i = i+4*ArrayNum*size)
+{
+ (void) vvCopyOff( Single, fid, 4*size, 0, offset );    /* load in the buffer array "Single" two complex spectra
+                                                           (phase=1,phase=2) from the "fid" array starting from offset*/
+ (void) dWrite( outUnit,Single,wordLen*4*size);         /* write "Single in the output */
+ offset += 4*ArrayNum*size;
+}

diff --git a/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild b/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild
similarity index 99%
rename from sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild
rename to sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild
index 1a81a38..cd253d5 100644
--- a/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09.ebuild
+++ b/sci-chemistry/nmrpipe/nmrpipe-8.1.2013.218.23.09-r1.ebuild
@@ -208,4 +208,7 @@ src_install() {
 
 	exeinto ${NMRBASE}/nmrbin.linux9
 	doexe "${T}"/nmrWish
+
+	insinto ${NMRBASE}/nmrtxt
+	doins "${FILESDIR}"/extract.M
 }