diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile index cf150eb41fad..ce462cf73082 100644 --- a/science/gromacs/Makefile +++ b/science/gromacs/Makefile @@ -2,6 +2,7 @@ PORTNAME= gromacs DISTVERSION= 2023.2 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ +DISTFILES= ${DISTNAME}${EXTRACT_SUFX} # only for googletest MAINTAINER= yuri@FreeBSD.org COMMENT= Compute molecular dynamics @@ -14,12 +15,14 @@ BROKEN_i386= undefined reference to `__atomic_load' and `__atomic_compare_exchan BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs LIB_DEPENDS= libhwloc.so:devel/hwloc2 -TEST_DEPENDS= googletest>0:devel/googletest -USES= cmake compiler:c++17-lang fortran gnome perl5 pkgconfig python:build shebangfix xorg +USES= cmake compiler:c++17-lang gnome perl5 pkgconfig python:build shebangfix xorg USE_GNOME= libxml2 USE_LDCONFIG= yes +USE_GITHUB= nodefault +GH_TUPLE= google:googletest:v1.13.0:googletest + SHEBANG_FILES= admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh bash_CMD= ${SH} @@ -32,7 +35,7 @@ TEST_TARGET= check OPTIONS_DEFINE= ATLAS FLOAT LEGACY OPENCL OPENMP SIMD X11 OPTIONS_SINGLE= MP OPTIONS_SINGLE_MP= NOMP MPICH OPENMPI THREAD_MPI -OPTIONS_DEFAULT= LEGACY OPENMP THREAD_MPI X11 # FLOAT should not a default because science/votca needs double precision. This is likely the same for many other uses. +OPTIONS_DEFAULT= LEGACY OPENMP THREAD_MPI X11 # FLOAT should not be a default because science/votca needs double precision. This is likely the same for many other uses. OPTIONS_SUB= yes ATLAS_DESC= Use ATLAS for BLAS and LAPACK @@ -88,6 +91,10 @@ THREAD_MPI_DESC= Build a thread-MPI-based multithreaded version of GROMACS THREAD_MPI_CMAKE_BOOL= GMX_THREAD_MPI THREAD_MPI_PLIST_SUB= SUFFIX_MPI="" +post-extract: # replace outdated bundled googletest with a newer version to fix tests build, see https://gitlab.com/gromacs/gromacs/-/issues/4825 + @${RM} -r ${WRKSRC}/src/external/googletest + @${RLN} ${WRKSRC_googletest} ${WRKSRC}/src/external/googletest + post-patch: @${FIND} ${WRKSRC} -name "GMXRC.*" | ${XARGS} ${REINPLACE_CMD} -e \ 's|LDLIB/pkgconfig|LDLIB/../libdata/pkgconfig| ; \ diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo index 0cec71219d3a..1b7c30fa9b05 100644 --- a/science/gromacs/distinfo +++ b/science/gromacs/distinfo @@ -1,3 +1,5 @@ -TIMESTAMP = 1689223634 +TIMESTAMP = 1689290012 SHA256 (gromacs-2023.2.tar.gz) = bce1480727e4b2bb900413b75d99a3266f3507877da4f5b2d491df798f9fcdae SIZE (gromacs-2023.2.tar.gz) = 41930578 +SHA256 (google-googletest-v1.13.0_GH0.tar.gz) = ad7fdba11ea011c1d925b3289cf4af2c66a352e18d4c7264392fead75e919363 +SIZE (google-googletest-v1.13.0_GH0.tar.gz) = 862871