4 files changed, 40 insertions, 15 deletions

diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index 842cca794463..af2c6d3cea28 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -3,28 +3,33 @@
 
 PORTNAME=	mpqc
 PORTVERSION=	2.3.1
-PORTREVISION=	33
+PORTREVISION=	34
 CATEGORIES=	science parallel
 MASTER_SITES=	SF
 
-MAINTAINER=	ports@FreeBSD.org
+MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Massively Parallel Quantum Chemistry Program
 
+LICENSE=	GPLv2
+LICENSE_FILE=	${WRKSRC}/COPYING
+
 BROKEN_aarch64=		fails to compile: lapack.h:2:10: 'chemistry/qc/mbptr12/f77sym.h' file not found
 
 LIB_DEPENDS=	libint.so:science/libint
+RUN_DEPENDS=	wish:x11-toolkits/tk-wrapper
+
+CONFLICTS_BUILD=	ga # devel/ga: it links to libarmci.so, has HAVE_ARMCI defined, and hits some bug
 
+USES=		fortran gmake libtool localbase perl5 shebangfix tar:bzip2
 GNU_CONFIGURE=	yes
 CONFIGURE_ARGS=	--enable-production \
 		--enable-shared \
 		--with-cc-optflags="${CFLAGS}" \
 		--with-cxx-optflags="${CXXFLAGS}" \
 		--with-sc-datadir=${DATADIR}
-LIBS+=		-Wl,--as-needed -lexecinfo -Wl,--no-as-needed
 ALL_TARGET=	default
 INSTALL_TARGET=	install install_devel
 DESTDIRNAME=	installroot
-USES=		fortran gmake libtool localbase perl5 shebangfix tar:bzip2
 SHEBANG_FILES=	src/bin/mpqc/ccarunproc src/bin/mpqc/mpqcrunproc
 USE_LDCONFIG=	yes
 
@@ -44,7 +49,7 @@ DOXYGEN_BUILD_DEPENDS=	doxygen:devel/doxygen \
 			dot:graphics/graphviz
 ICC_BUILD_DEPENDS=	${LOCALBASE}/intel_cc_80/bin/icc:lang/icc
 MPICH_CONFIGURE_ENABLE=	parallel
-MPICH_LIB_DEPENDS=	libmpi.so.12:net/mpich
+MPICH_LIB_DEPENDS=	libmpich.so:net/mpich2
 OPTIFLAGS_CFLAGS=	-ffast-math
 OPTIFLAGS_CXXFLAGS=	-ffast-math
 
@@ -62,6 +67,7 @@ post-patch:
 	@${REINPLACE_CMD} \
 		-e 's/-lblas/${BLASLIB}/' -e 's/-llapack/${LAPACKLIB}/' \
 		-e 's/pthread_join(0,0)/pthread_create(0,0,0,0)/' \
+		-e 's|/usr/bin/wish|${LOCALBASE}/bin/wish|' \
 		${WRKSRC}/configure
 
 do-build-DOXYGEN-on:
diff --git a/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile b/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile
new file mode 100644
index 000000000000..804cefa5f949
--- /dev/null
+++ b/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile
@@ -0,0 +1,19 @@
+--- src/lib/chemistry/qc/cints/Makefile.orig	2018-07-17 20:59:43 UTC
++++ src/lib/chemistry/qc/cints/Makefile
+@@ -52,13 +52,13 @@ LIBOBJ := $(LIBOBJ:%.cc=%.$(OBJSUF))
+ 
+ LTLINKLIBOPTS += $(LDFLAGS)
+ ifeq ($(HAVE_LIBINT),yes)
+-  LTLINKLIBOPTS += -lint
++  LTLINKLIBOPTS += -L$(PREFIX)/lib -lint
+ endif
+ ifeq ($(HAVE_LIBR12),yes)
+-  LTLINKLIBOPTS += -lr12
++  LTLINKLIBOPTS +=  -L$(PREFIX)/lib -lr12
+ endif
+ ifeq ($(HAVE_LIBDERIV),yes)
+-  LTLINKLIBOPTS += -lderiv
++  LTLINKLIBOPTS +=  -L$(PREFIX)/lib -lderiv
+ endif
+ 
+ DISTFILES = $(TESTCSRC) $(INC) Makefile
diff --git a/science/mpqc/files/patch-src_lib_util_misc_Makefile b/science/mpqc/files/patch-src_lib_util_misc_Makefile
new file mode 100644
index 000000000000..edc3428a337f
--- /dev/null
+++ b/science/mpqc/files/patch-src_lib_util_misc_Makefile
@@ -0,0 +1,10 @@
+--- src/lib/util/misc/Makefile.orig	2005-05-26 06:00:50 UTC
++++ src/lib/util/misc/Makefile
+@@ -38,6 +38,7 @@ CXXFLAGS := $(CXXFLAGS:-fno-implicit-tem
+ 
+ TARGET_TO_MAKE = libSCmisc
+ BIN_OR_LIB = LIB
++LTLINKLIBOPTS += -lexecinfo
+ 
+ CSRC =
+ 
diff --git a/science/mpqc/files/patch-symmetry__pointgrp.cc b/science/mpqc/files/patch-symmetry__pointgrp.cc
deleted file mode 100644
index 2a5f8722f240..000000000000
--- a/science/mpqc/files/patch-symmetry__pointgrp.cc
+++ /dev/null
@@ -1,10 +0,0 @@
---- src/lib/math/symmetry/pointgrp.cc.orig	Wed Feb 21 20:52:39 2001
-+++ src/lib/math/symmetry/pointgrp.cc	Fri Apr 27 15:28:50 2001
-@@ -54,6 +54,7 @@
- #include <string.h>
- #include <ctype.h>
- #include <math.h>
-+#include <float.h>
-
- #include <util/misc/formio.h>
- #include <util/state/stateio.h>