diff --git a/science/mrchem/Makefile b/science/mrchem/Makefile index 05effd87c06f..c4e674ba2355 100644 --- a/science/mrchem/Makefile +++ b/science/mrchem/Makefile @@ -1,59 +1,58 @@ PORTNAME= mrchem DISTVERSIONPREFIX= v -DISTVERSION= 1.1.3 -PORTREVISION= 1 +DISTVERSION= 1.1.4 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org COMMENT= MultiResolution Chemistry WWW= https://github.com/MRChemSoft/mrchem LICENSE= GPLv3 LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= nlohmann-json>0:devel/nlohmann-json LIB_DEPENDS= libmrcpp.so:science/mrcpp \ libxcfun.so:science/xcfun USES= cmake:testing compiler:c++14-lang eigen:3 shebangfix USE_GITHUB= yes GH_ACCOUNT= MRChemSoft SHEBANG_FILES= python/mrchem.in tests/*/test OPTIONS_DEFINE= ARCH_FLAGS PYTHON # the Python module also exists in the separate port science/py-mrchem, so it should be off by default here OPTIONS_SINGLE= MPI OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI OPTIONS_DEFAULT= MPICH OPTIONS_SUB= yes ARCH_FLAGS_DESC= Enable architecture-specific compiler flags ARCH_FLAGS_CMAKE_BOOL= ENABLE_ARCH_FLAGS NOMPI_DESC= Build without parallel processing support MPICH_USES= mpi:mpich MPICH_CMAKE_ON= -DENABLE_MPI=ON OPENMPI_USES= mpi:openmpi OPENMPI_CMAKE_ON= -DENABLE_MPI=ON OPENMPI_BROKEN= fails to compile with OpenMPI, see https://github.com/MRChemSoft/mrchem/issues/438 PYTHON_USES= python PYTHON_CMAKE_BOOL= BUILD_PYTHON PYTHON_CMAKE_ON= -DPython3_EXECUTABLE=${PYTHON_CMD} \ -DPYMOD_INSTALL_LIBDIR=${PYTHON_SITELIBDIR:S;${PREFIX}/lib/;;} post-install-PYTHON-on: @${RMDIR} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/mrchem/input_parser/docs .include .if !${PORT_OPTIONS:MPYTHON} pre-test: @${ECHO} "tests require the port to be built with PYTHON=ON" && false .endif .include diff --git a/science/mrchem/distinfo b/science/mrchem/distinfo index 565fe1539a7e..0fa429ec821a 100644 --- a/science/mrchem/distinfo +++ b/science/mrchem/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1692864456 -SHA256 (MRChemSoft-mrchem-v1.1.3_GH0.tar.gz) = 6fb6dd7df87d33f07ba2d4fd33fcbd98816ba6587eb9bb2edc7b5933ddf0da67 -SIZE (MRChemSoft-mrchem-v1.1.3_GH0.tar.gz) = 4234192 +TIMESTAMP = 1705555985 +SHA256 (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 80724ee337d3d48af559342ee090d883c90662d2d60a1c5219a6a18c9bd32d6c +SIZE (MRChemSoft-mrchem-v1.1.4_GH0.tar.gz) = 4241663