sse+cblas patch

3 files changed, 88 insertions, 18 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 5e9c5ccbb986..5b29d058168b 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,22 +1,24 @@
 pkgbase = libcmatrix
 	pkgdesc = A library designed for numerical studies of problems in NMR
 	pkgver = 3.11.0
-	pkgrel = 5
-	url = https://www.dur.ac.uk/paul.hodgkinson/pNMRsim
+	pkgrel = 6
+	url = https://www.dur.ac.uk/solids.nmr/software/pnmrsim
 	arch = x86_64
 	license = GPL
 	makedepends = root
+	makedepends = cblas
 	depends = openmpi
 	source = https://www.dur.ac.uk/paul.hodgkinson/pNMRsim/libcmatrixR3_lite.tar.gz
 	source = libcmatrix-3.11.0-gcc5.2.patch
 	source = libcmatrix-3.11.0-shared.patch
 	source = libcmatrix-3.2.1-gcc4.7.patch
 	source = libcmatrix-3.9.0-atlas.patch
+	source = libcmatrix-3.11.0-sse.patch
 	sha256sums = 0cd4b1f921235ea64d7fbd8d814fbe639bf9ddb23e4a6d3182cf2788cc23f8b8
 	sha256sums = 58a1278a8f1323bd201979cdce8ecdc390ce8825f58a1d143264455d5bc0f80c
 	sha256sums = e52c2adb42f5a2836db1e71e4ae2f3235e58bc5c92b04594069548201fd821cf
 	sha256sums = bc4eec9967be3d9ad520d1750abb23f5b6732b8352c7ad61f54c78fb7c9d6312
 	sha256sums = fc4463ff41d3a691b351f4891bcd2fb3177ce3c04f0f4d2f3d398e5b64c26b0a
+	sha256sums = 48953cf9a0f4fc5daa65896222e1cdb43126c2c81d19732283bcf88e36aae633
 
 pkgname = libcmatrix
-
diff --git a/PKGBUILD b/PKGBUILD
index cd8beb3fd160..c5166fdfa71f 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,39 +2,43 @@
 
 pkgname=libcmatrix
 pkgver=3.11.0
-pkgrel=5
+pkgrel=6
 pkgdesc="A library designed for numerical studies of problems in NMR"
 arch=('x86_64')
-url="https://www.dur.ac.uk/paul.hodgkinson/pNMRsim"
+url="https://www.dur.ac.uk/solids.nmr/software/pnmrsim"
 license=('GPL')
 depends=('openmpi')
-makedepends=('root')
-source=($url/libcmatrixR3_lite.tar.gz
+makedepends=('root' 'cblas')
+source=(https://www.dur.ac.uk/paul.hodgkinson/pNMRsim/libcmatrixR3_lite.tar.gz
         $pkgname-3.11.0-gcc5.2.patch
         $pkgname-3.11.0-shared.patch
         $pkgname-3.2.1-gcc4.7.patch
-        $pkgname-3.9.0-atlas.patch)
+        $pkgname-3.9.0-atlas.patch
+        $pkgname-3.11.0-sse.patch)
 sha256sums=('0cd4b1f921235ea64d7fbd8d814fbe639bf9ddb23e4a6d3182cf2788cc23f8b8'
             '58a1278a8f1323bd201979cdce8ecdc390ce8825f58a1d143264455d5bc0f80c'
             'e52c2adb42f5a2836db1e71e4ae2f3235e58bc5c92b04594069548201fd821cf'
             'bc4eec9967be3d9ad520d1750abb23f5b6732b8352c7ad61f54c78fb7c9d6312'
-            'fc4463ff41d3a691b351f4891bcd2fb3177ce3c04f0f4d2f3d398e5b64c26b0a')
+            'fc4463ff41d3a691b351f4891bcd2fb3177ce3c04f0f4d2f3d398e5b64c26b0a'
+            '48953cf9a0f4fc5daa65896222e1cdb43126c2c81d19732283bcf88e36aae633')
 
 prepare() {
   mv "$srcdir/libcmatrixR3" "$srcdir/$pkgname-$pkgver"
   cd "$srcdir/$pkgname-$pkgver"
+
   patch -p1 < ../$pkgname-3.11.0-shared.patch
   patch -p1 < ../$pkgname-3.2.1-gcc4.7.patch
   patch -p1 < ../$pkgname-3.9.0-atlas.patch
   patch -p1 < ../$pkgname-3.11.0-gcc5.2.patch
-  
-  sed -i -e '/Warnings.h/a\' -e '#include <cstdio>' include/DynamicList.h
-  sed -i 's#0x80000000#(int)0x80000000#g' include/lcm_ssecomplex.h
-  sed -i 's#mutable space#space#' NMR/MetaPropagation.cc
-  sed -i 's#-lMinuit#-lMinuit2#g' configure
-  sed -i 's#Minuit,main#Minuit2,main#g' configure-libraries.ac
-  sed -i 's#libMinuit#libMinuit2#g' configure-libraries.ac
-  sed -i 's#latlas#lblas#g' configure
+  patch -p1 < ../$pkgname-3.11.0-sse.patch
+
+  autoupdate -f configure-compiler.ac
+  autoupdate -f configure-libraries.ac
+  autoupdate -f configure.ac
+
+  AUTOHEADER=true autoreconf -ifv configure.ac
+
+  sed -i 's/latlas/lcblas/g' configure
 }
 
 build() {
@@ -46,7 +50,9 @@ build() {
               --with-minuit \
               --with-mpi \
               CXX=mpic++ \
-              LDFLAGS='-L/usr/lib/root'
+              ATLAS_CFLAGS='-I/usr/include' \
+              ATLAS_LIBS='-lcblas' \
+              LDFLAGS='-L/usr/lib -L/usr/lib/root'
   make
 }
 
@@ -55,6 +61,7 @@ package() {
   install -dm 755 "$pkgdir"/usr/{include/libcmatrix,lib}
   install -m755 include/*.h "$pkgdir/usr/include/libcmatrix"
   install -m755 lib/libcmatrix.so.$pkgver "$pkgdir/usr/lib"
+
   cd "$pkgdir/usr/lib"
   ln -sf libcmatrix.so.$pkgver libcmatrix.so.3
   ln -sf libcmatrix.so.3 libcmatrix.so
diff --git a/libcmatrix-3.11.0-sse.patch b/libcmatrix-3.11.0-sse.patch
new file mode 100644
index 000000000000..fa0721fb8691
--- /dev/null
+++ b/libcmatrix-3.11.0-sse.patch
@@ -0,0 +1,61 @@
+diff --color -Naur a/include/DynamicList.h b/include/DynamicList.h
+--- a/include/DynamicList.h	2010-12-04 20:13:35.000000000 +0200
++++ b/include/DynamicList.h	2022-11-24 13:09:10.524337827 +0200
+@@ -5,6 +5,7 @@
+ #include "BaseList.h"
+ #include "lcm_basethreads.h"
+ #include "Warnings.h"
++#include <cstdio>
+ 
+ namespace libcmatrix {
+   
+diff --color -Naur a/include/lcm_ssecomplex.h b/include/lcm_ssecomplex.h
+--- a/include/lcm_ssecomplex.h	2011-05-16 12:22:07.000000000 +0300
++++ b/include/lcm_ssecomplex.h	2022-11-24 13:09:10.527671113 +0200
+@@ -151,7 +151,7 @@
+ {
+   static const union {
+     int i[4]; ssecomplex_t v;
+-  } signbithigh = {{0,0,0,0x80000000}};
++  } signbithigh = {{0,0,0,(int)0x80000000}};
+   ssecomplex_t b_im = _mm_shuffle_pd(b,b,3); // Imag. part of b in both
+   const ssecomplex_t b_re = _mm_shuffle_pd(b,b,0); // Real part of b in both
+   const ssecomplex_t tmp=_mm_mul_pd(a,b_re);
+@@ -166,7 +166,7 @@
+   ssecomplex_t b_re = _mm_set1_pd(b);
+   static const union {
+     int i[4]; ssecomplex_t v;
+-  } signbithigh = {{0,0,0,0x80000000}};
++  } signbithigh = {{0,0,0,(int)0x80000000}};
+   b_re = _mm_xor_pd(b_re, signbithigh.v); // Change sign of high
+   return complex(_mm_mul_pd(a.z_, b_re));
+ }
+@@ -184,14 +184,14 @@
+ inline complex operator- (const complex& a) {
+   static const union { // (signbit,signbit)
+     int i[4]; ssecomplex_t v;
+-  } signbits = {{0,0x80000000,0,0x80000000}};
++  } signbits = {{0,(int)0x80000000,0,(int)0x80000000}};
+   return complex(_mm_xor_pd(a, signbits.v)); // Change sign of both elements
+ }
+ 
+ inline complex conj(const complex& a) {
+   static const union { // (signbit,signbit)
+     int i[4]; ssecomplex_t v;
+-  } signbithigh = {{0,0,0,0x80000000}};
++  } signbithigh = {{0,0,0,(int)0x80000000}};
+   return complex(_mm_xor_pd(a.z_, signbithigh.v)); // Change sign of imag. part
+ }
+ 
+diff --color -Naur a/NMR/MetaPropagation.cc b/NMR/MetaPropagation.cc
+--- a/NMR/MetaPropagation.cc	2011-04-28 21:37:11.000000000 +0300
++++ b/NMR/MetaPropagation.cc	2022-11-24 13:09:10.531004401 +0200
+@@ -2289,7 +2289,7 @@
+       { ref_.clear(0); }
+     const space_T& operator()() const { return ref_; }
+     ~fudge_isotropic_() { ref_.ensure_rank(0); }
+-    mutable space_T& ref_;
++    space_T& ref_;
+   };
+   template<> struct fudge_isotropic_<double> { 
+     fudge_isotropic_(double v) : v_(v) {};