721e5776c9
- Update all the consumers to use USES=tex - USE_TEX=yes is the old way of writing USES=tex which has been removed and replaced in all ports - Almost all of the USE_TEX features remains unchanged - Some consumers had the same variables defined both in the mk infrastructure and also in the ports which have been removed from the ports as those are redundant. In case any of the consumers are failing to build please make sure that the nexessary USES=tex is there. Unlike previous USE_TEX=yes will no longer load the required VARS for tex and related dependencies. Reviewed by: portmgr Approved by: portmgr (blanket)
115 lines
3.4 KiB
Makefile
115 lines
3.4 KiB
Makefile
PORTNAME= mpqc
|
|
PORTVERSION= 2.3.1
|
|
PORTREVISION= 47
|
|
CATEGORIES= science parallel
|
|
MASTER_SITES= SF
|
|
|
|
MAINTAINER= yuri@FreeBSD.org
|
|
COMMENT= Massively Parallel Quantum Chemistry Program
|
|
WWW= https://mpqc.org/
|
|
|
|
LICENSE= GPLv2
|
|
LICENSE_FILE= ${WRKSRC}/COPYING
|
|
|
|
BUILD_DEPENDS= dot:graphics/graphviz
|
|
LIB_DEPENDS= libint.so:science/libint
|
|
RUN_DEPENDS= wish:x11-toolkits/tk-wrapper \
|
|
dot:graphics/graphviz
|
|
|
|
USES= fortran gmake libtool localbase perl5 shebangfix tar:bzip2
|
|
|
|
CONFLICTS_BUILD= ga # devel/ga: it links to libarmci.so, has HAVE_ARMCI defined, and hits some bug
|
|
|
|
GNU_CONFIGURE= yes
|
|
CONFIGURE_ARGS= --enable-production \
|
|
--enable-shared \
|
|
--with-cc-optflags="${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 MPI OPTIFLAGS
|
|
OPTIONS_DEFAULT= DOXYGEN MPI
|
|
OPTIONS_SUB= yes
|
|
|
|
ICC_DESC= Build with ICC compiler instead
|
|
ATLAS_DESC= Link with ATLAS instead of BLAS
|
|
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
|
|
DOXYGEN_USES= tex
|
|
DOXYGEN_USE= TEX=base,dvipsk,pdftex
|
|
|
|
ICC_BUILD_DEPENDS= ${LOCALBASE}/intel_cc_80/bin/icc:lang/icc
|
|
|
|
MPI_CONFIGURE_ENABLE= parallel
|
|
MPI_LIB_DEPENDS= libmpich.so:net/mpich
|
|
MPI_LDFLAGS= -lmpich # build fails to supply libmpich.so to link
|
|
|
|
OPTIFLAGS_CFLAGS= -ffast-math
|
|
OPTIFLAGS_CXXFLAGS= -ffast-math
|
|
|
|
.include <bsd.port.options.mk>
|
|
|
|
.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|' \
|
|
${WRKSRC}/configure
|
|
@${REINPLACE_CMD} \
|
|
's|#include <chemistry/qc/mbptr12/f77sym.h>|#include <${WRKSRC}/src/lib/chemistry/qc/mbptr12/f77sym.h>|' \
|
|
${WRKSRC}/src/lib/chemistry/qc/mbptr12/blas.h \
|
|
${WRKSRC}/src/lib/chemistry/qc/mbptr12/lapack.h
|
|
|
|
post-configure: # workaround: https://github.com/ValeevGroup/mpqc/issues/56
|
|
@${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 <bsd.port.mk>
|