Index: head/science/qmcpack/Makefile =================================================================== --- head/science/qmcpack/Makefile (revision 533484) +++ head/science/qmcpack/Makefile (revision 533485) @@ -1,39 +1,41 @@ # $FreeBSD$ PORTNAME= qmcpack DISTVERSIONPREFIX= v -DISTVERSION= 3.8.0 -PORTREVISION= 5 +DISTVERSION= 3.9.2 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org COMMENT= Many-body ab initio Quantum Monte Carlo code for quantum chemstry LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE BROKEN_i386= undefined reference to `__atomic_load' +BUILD_DEPENDS= catch>0:devel/catch LIB_DEPENDS= libboost_system.so:devel/boost-libs \ libfftw3.so:math/fftw3 \ libhdf5.so:science/hdf5 \ libmpich.so:net/mpich \ libopenblas.so:math/openblas \ libsz.so:science/szip USES= cmake compiler:c++11-lang fortran gnome localbase:ldflags pkgconfig python:build USE_GITHUB= yes GH_ACCOUNT= ${PORTNAME:tu} USE_GNOME= libxml2 + +CXXFLAGS+= -I${LOCALBASE}/include/catch2 PROGS= convert4qmc qmc-check-affinity qmc-extract-eshdf-kvectors qmc-get-supercell qmcpack PLIST_FILES= ${PROGS:C/^/bin\//} BINARY_ALIAS= python=${PYTHON_CMD} do-install: .for p in ${PROGS} ${INSTALL_PROGRAM} ${BUILD_WRKSRC}/bin/${p} ${STAGEDIR}${PREFIX}/bin .endfor .include Index: head/science/qmcpack/distinfo =================================================================== --- head/science/qmcpack/distinfo (revision 533484) +++ head/science/qmcpack/distinfo (revision 533485) @@ -1,3 +1,3 @@ -TIMESTAMP = 1564552094 -SHA256 (QMCPACK-qmcpack-v3.8.0_GH0.tar.gz) = a1abd9be2236e6e9c89bb3406431b2001e144376f5c5e70387f9aaffb0540d8d -SIZE (QMCPACK-qmcpack-v3.8.0_GH0.tar.gz) = 99183459 +TIMESTAMP = 1588295976 +SHA256 (QMCPACK-qmcpack-v3.9.2_GH0.tar.gz) = fc5f955a71a0d08d536f07843b3f69d5e47018715f0a52e3d156d3a307b3a8a9 +SIZE (QMCPACK-qmcpack-v3.9.2_GH0.tar.gz) = 106481931 Index: head/science/qmcpack/files/patch-CMakeLists.txt =================================================================== --- head/science/qmcpack/files/patch-CMakeLists.txt (revision 533484) +++ head/science/qmcpack/files/patch-CMakeLists.txt (revision 533485) @@ -1,11 +1,11 @@ ---- CMakeLists.txt.orig 2019-03-29 19:11:40 UTC +--- CMakeLists.txt.orig 2020-02-11 19:09:00 UTC +++ CMakeLists.txt -@@ -189,7 +189,7 @@ CHECK_INCLUDE_FILE(unistd.h HAVE_UNISTD_ +@@ -258,7 +258,7 @@ CHECK_INCLUDE_FILE(unistd.h HAVE_UNISTD_H) + # BUILD_QMCTOOLS build utility programs # MPIP_PROFILE profile mpi performance ###################################################################### - SET(QMC_ADIOS 0 CACHE BOOL "Build with ADIOS") -SET(BUILD_UNIT_TESTS 1 CACHE BOOL "Build unit tests") +SET(BUILD_UNIT_TESTS 0 CACHE BOOL "Build unit tests") SET(BUILD_LMYENGINE_INTERFACE 1 CACHE BOOL "Build LMY engine") IF (QMC_CUDA AND BUILD_LMYENGINE_INTERFACE) MESSAGE(STATUS "LMY engine is not compatible with CUDA build! Disabling LMY engine")