science/qbox: update 1_76_0 → 1_76_1

Reported by:	portscout

science/qbox/Makefile

@@ -1,7 +1,6 @@
 PORTNAME=	qbox
 DISTVERSIONPREFIX=	rel
-DISTVERSION=	1_76_0
-PORTREVISION=	1
+DISTVERSION=	1_76_1
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
@@ -15,7 +14,7 @@ LIB_DEPENDS=	libblas.so:math/blas \
 		libcurl.so:ftp/curl \
 		libfftw3.so:math/fftw3 \
 		liblapack.so:math/lapack \
-		libmpich.so:net/mpich \
+		libmpicxx.so:net/mpich \
 		libscalapack.so:math/scalapack \
 		libuuid.so:misc/e2fsprogs-libuuid \
 		libxerces-c.so:textproc/xerces-c3

science/qbox/distinfo

@@ -1,3 +1,3 @@
-TIMESTAMP = 1686113510
-SHA256 (qboxcode-qbox-public-rel1_76_0_GH0.tar.gz) = d0bdfb8757a2abb650b16925f8ba6eb6b8ce1a9ab04baed0ceff6f96efafaa39
-SIZE (qboxcode-qbox-public-rel1_76_0_GH0.tar.gz) = 712670
+TIMESTAMP = 1703459304
+SHA256 (qboxcode-qbox-public-rel1_76_1_GH0.tar.gz) = 170bf87009e9628aa1ef829debdce9d95008be9b77030c74a7ffb665ccef5207
+SIZE (qboxcode-qbox-public-rel1_76_1_GH0.tar.gz) = 717021

science/qbox/files/patch-Makefile

@@ -0,0 +1,13 @@
+- workaround for https://github.com/qboxcode/qbox-public/issues/10
+
+--- Makefile.orig	2023-12-24 23:28:51 UTC
++++ Makefile
+@@ -82,7 +82,7 @@ CXXFLAGS += -DVERSION='"$(VERSION)"'
+ 	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
+  testCGOptimizer: testCGOptimizer.o CGOptimizer.o LineMinimizer.o
+ 	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
+- testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o
++ testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o MPIdata.o
+ 	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
+  testSample: testSample.o AtomSet.o Atom.o Species.o \
+         Wavefunction.o SlaterDet.o \