diff options
| author | yuri <yuri@FreeBSD.org> | 2018-09-06 08:58:22 +0800 |
|---|---|---|
| committer | yuri <yuri@FreeBSD.org> | 2018-09-06 08:58:22 +0800 |
| commit | 845dbf05667979594ee87b85c3c06824edddb7ce (patch) | |
| tree | 21da3305ec132268b643ecae1593760f65d01fe9 /science | |
| parent | b5bdad3e15f1de0b48d48094bed8e617847042ef (diff) | |
| download | freebsd-ports-gnome-845dbf05667979594ee87b85c3c06824edddb7ce.tar.gz freebsd-ports-gnome-845dbf05667979594ee87b85c3c06824edddb7ce.tar.zst freebsd-ports-gnome-845dbf05667979594ee87b85c3c06824edddb7ce.zip | |
science/cp2k: Add multiprocessing options MPI and OPENMP_MPI
The set of builds is defined in the project itself.
Diffstat (limited to 'science')
| -rw-r--r-- | science/cp2k/Makefile | 21 | ||||
| -rw-r--r-- | science/cp2k/distinfo | 6 |
2 files changed, 22 insertions, 5 deletions
diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index ea9a075fd0f2..a8d485451f0b 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -2,9 +2,14 @@ PORTNAME= cp2k DISTVERSION= 6.1 +PORTREVISION= 1 CATEGORIES= science MASTER_SITES= SF/${PORTNAME}/ +PATCH_SITES= https://github.com/${PORTNAME}/${PORTNAME}/commit/ +PATCHFILES= f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch:-p2 \ + d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch:-p2 + MAINTAINER= yuri@FreeBSD.org COMMENT= Quantum chemistry and solid state physics software package @@ -14,7 +19,7 @@ LIB_DEPENDS= libblas.so:math/blas \ libfftw3.so:math/fftw3 \ liblapack.so:math/lapack -USES= fortran gmake python:build tar:bz2 +USES= fortran gmake localbase:ldflags python:build tar:bz2 MAKEFILE= ${WRKSRC}/makefiles/Makefile MAKE_ARGS= XARCH=FreeBSD-${NOLIBINT}libint-gfortran VERSION=${VERSION} FC=gfortran${GCC_DEFAULT} CC=${CC} LD=gfortran${GCC_DEFAULT} @@ -26,7 +31,7 @@ BINARY_ALIAS= python=${PYTHON_CMD} OPTIONS_DEFINE= LIBINT OPTIONS_SINGLE= MULTIPROCESSING -OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP # for the complete list see "3a. ARCH files" in https://www.cp2k.org/howto:compile +OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP MPI OPENMP_MPI # for the complete list see "3a. ARCH files" in https://www.cp2k.org/howto:compile OPTIONS_DEFAULT= LIBINT SERIAL MULTIPROCESSING_DESC= Multiprocessing @@ -38,13 +43,21 @@ SERIAL_DESC= Single core (no multiprocessing) SERIAL_VARS= VERSION=sopt OPENMP_VARS= VERSION=ssmp -OPENMP_LIB_DEPENDS= libomp.so:devel/openmp OPENMP_BROKEN= undefined reference to `dfftw_plan_with_nthreads_': https://github.com/cp2k/cp2k/issues/12 (need OPENMP=on in math/fftw3 ?) +MPI_VARS= VERSION=popt +MPI_LIB_DEPENDS= libmpich.so:net/mpich2 \ + libscalapack.so:math/scalapack + +OPENMP_MPI_DESC= Enable both OpenMP and MPI +OPENMP_MPI_VARS= VERSION=psmp +OPENMP_MPI_LIB_DEPENDS= ${MPI_LIB_DEPENDS} +OPENMP_MPI_BROKEN= ${OPENMP_BROKEN} + PLIST_FILES= bin/${PORTNAME} post-patch: - @${REINPLACE_CMD} 's|^LIBS.*=.*|& ${LDFLAGS}|' ${WRKSRC}/arch/FreeBSD-* + @${REINPLACE_CMD} 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|' ${WRKSRC}/arch/FreeBSD-* pre-build: @${MKDIR} ${BUILD_WRKSRC} diff --git a/science/cp2k/distinfo b/science/cp2k/distinfo index 643f0f174178..14e88a91de3b 100644 --- a/science/cp2k/distinfo +++ b/science/cp2k/distinfo @@ -1,3 +1,7 @@ -TIMESTAMP = 1536086561 +TIMESTAMP = 1536129970 SHA256 (cp2k-6.1.tar.bz2) = af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b SIZE (cp2k-6.1.tar.bz2) = 55139278 +SHA256 (f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch) = 5c7a010738e52cd9f0c8d8e10e3627dae7e2f05833cce343f87b0dbb7c7e6531 +SIZE (f03e6277feea9a65d543ca6c1184f58d3e83bc2a.patch) = 1418 +SHA256 (d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch) = 4cf2a15b3b859b07f11e21bd2a928cb2ac78866a2174e06551c861e633eb112d +SIZE (d00a71c4d0276aab849ac6a6483b9dcdb65613c9.patch) = 3823 |