Index: head/science/mpqc/Makefile =================================================================== --- head/science/mpqc/Makefile (revision 474827) +++ head/science/mpqc/Makefile (revision 474828) @@ -1,92 +1,98 @@ # Created by: batman # $FreeBSD$ 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 OPTIONS_DEFINE= ATLAS DOXYGEN EXAMPLES ICC MPICH OPTIFLAGS OPTIONS_DEFAULT= DOXYGEN OPTIONS_SUB= yes ICC_DESC= Build with ICC compiler instead ATLAS_DESC= Link with ATLAS instead of BLAS MPICH_DESC= Parallel processing support via MPICH OPTIFLAGS_DESC= Build with optimized flags ATLAS_USES= blaslapack:atlas ATLAS_USES_OFF= blaslapack:netlib DOXYGEN_CONFIGURE_ENABLE=doxygen-man 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 .include .if ${PORT_OPTIONS:MICC} CC= ${LOCALBASE}/intel_cc_80/bin/icc CXX= ${LOCALBASE}/intel_cc_80/bin/icpc CFLAGS= -O3 -tpp7 -xMKW -Vaxlib CXXFLAGS= -O3 -tpp7 -xMKW -Vaxlib LIBS+= -lsvml .endif post-patch: @${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: @(cd ${WRKSRC}/doc && ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS}) ${RM} ${WRKSRC}/doc/man/man1/_* ${WRKSRC}/doc/man/man3/_* do-install-DOXYGEN-on: @(cd ${WRKSRC}/doc && ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} \ install install_man) ${MV} ${STAGEDIR}${PREFIX}/html ${STAGEDIR}${DOCSDIR} do-install-EXAMPLES-on: @(cd ${WRKSRC}/doc && ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} \ install_samples) ${MV} ${STAGEDIR}${PREFIX}/examples/mp2 ${STAGEDIR}${EXAMPLESDIR} ${RMDIR} ${STAGEDIR}${PREFIX}/examples post-install: (cd ${STAGEDIR}${PREFIX}/bin && ${STRIP_CMD} scpr molrender mpqc scls) ${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so validate: (cd ${WRKSRC}/src/bin/mpqc/validate && \ ${MAKE_CMD} check0 && \ ${MAKE_CMD} check0_run && \ ${MAKE_CMD} check0_chk) .include Index: head/science/mpqc/files/patch-symmetry__pointgrp.cc =================================================================== --- head/science/mpqc/files/patch-symmetry__pointgrp.cc (revision 474827) +++ head/science/mpqc/files/patch-symmetry__pointgrp.cc (nonexistent) @@ -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 - #include - #include -+#include - - #include - #include Property changes on: head/science/mpqc/files/patch-symmetry__pointgrp.cc ___________________________________________________________________ Deleted: fbsd:nokeywords ## -1 +0,0 ## -yes \ No newline at end of property Deleted: svn:eol-style ## -1 +0,0 ## -native \ No newline at end of property Deleted: svn:mime-type ## -1 +0,0 ## -text/plain \ No newline at end of property Index: head/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile =================================================================== --- head/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile (nonexistent) +++ head/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile (revision 474828) @@ -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 Property changes on: head/science/mpqc/files/patch-src_lib_chemistry_qc_cints_Makefile ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/mpqc/files/patch-src_lib_util_misc_Makefile =================================================================== --- head/science/mpqc/files/patch-src_lib_util_misc_Makefile (nonexistent) +++ head/science/mpqc/files/patch-src_lib_util_misc_Makefile (revision 474828) @@ -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 = + Property changes on: head/science/mpqc/files/patch-src_lib_util_misc_Makefile ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property