Index: head/science/mpqc/Makefile =================================================================== --- head/science/mpqc/Makefile (revision 475272) +++ head/science/mpqc/Makefile (revision 475273) @@ -1,98 +1,105 @@ # Created by: batman # $FreeBSD$ PORTNAME= mpqc PORTVERSION= 2.3.1 -PORTREVISION= 34 +PORTREVISION= 35 CATEGORIES= science parallel MASTER_SITES= SF 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} ALL_TARGET= default INSTALL_TARGET= install install_devel DESTDIRNAME= installroot SHEBANG_FILES= src/bin/mpqc/ccarunproc src/bin/mpqc/mpqcrunproc USE_LDCONFIG= yes +USE_CXXSTD= c++98 # workaround https://github.com/ValeevGroup/mpqc/issues/57 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= 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|' \ ${WRKSRC}/configure + +post-configure: # workaround: https://github.com/ValeevGroup/mpqc/issues/56 + @${REINPLACE_CMD} -e ' \ + s|/\* #undef USING_NAMESPACE_STD \*/|#define USING_NAMESPACE_STD 1|; \ + s|/\* #undef HAVE_SGETN \*/|#define HAVE_SGETN 1|' \ + ${WRKSRC}/src/lib/scconfig.h 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-src_lib_util_keyval_ipv2__scan.cc =================================================================== --- head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.cc (revision 475272) +++ head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.cc (nonexistent) @@ -1,20 +0,0 @@ ---- src/lib/util/keyval/ipv2_scan.cc.orig 2018-07-22 01:07:05 UTC -+++ src/lib/util/keyval/ipv2_scan.cc -@@ -673,7 +673,7 @@ YY_RULE_SETUP - } - yylval.str = (char *)malloc(strlenyytext+1); - if (!yylval.str) { -- ExEnv::errn() << "IPV2: {string} rule: malloc failed" << endl; -+ ExEnv::errn() << "IPV2: {string} rule: malloc failed" << std::endl; - abort(); - } - strcpy(yylval.str,yytext); -@@ -684,7 +684,7 @@ case 3: - YY_RULE_SETUP - { yylval.str = (char *)malloc(strlen(yytext)); - if (!yylval.str) { -- ExEnv::errn() << "IPV2: {qstring} rule: malloc failed" << endl; -+ ExEnv::errn() << "IPV2: {qstring} rule: malloc failed" << std::endl; - abort(); - } - strcpy(yylval.str,&yytext[1]); Property changes on: head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.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_util_keyval_ipv2__scan.ll =================================================================== --- head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.ll (revision 475272) +++ head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.ll (nonexistent) @@ -1,20 +0,0 @@ ---- src/lib/util/keyval/ipv2_scan.ll.orig 2018-07-22 01:07:58 UTC -+++ src/lib/util/keyval/ipv2_scan.ll -@@ -59,7 +59,7 @@ qstring \"[^"\n]+\" - } - yylval.str = (char *)malloc(strlenyytext+1); - if (!yylval.str) { -- ExEnv::errn() << "IPV2: {string} rule: malloc failed" << endl; -+ ExEnv::errn() << "IPV2: {string} rule: malloc failed" << std::endl; - abort(); - } - strcpy(yylval.str,yytext); -@@ -67,7 +67,7 @@ qstring \"[^"\n]+\" - } - {qstring} { yylval.str = (char *)malloc(strlen(yytext)); - if (!yylval.str) { -- ExEnv::errn() << "IPV2: {qstring} rule: malloc failed" << endl; -+ ExEnv::errn() << "IPV2: {qstring} rule: malloc failed" << std::endl; - abort(); - } - strcpy(yylval.str,&yytext[1]); Property changes on: head/science/mpqc/files/patch-src_lib_util_keyval_ipv2__scan.ll ___________________________________________________________________ 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