Attachment 246725 Details for Bug 275485 – Switch to OpenMPI

[patch] Switch to OpenMPI

science_abinit.diff (text/plain), 3.01 KB, created by Thierry Thomas on 2023-12-02 17:19:34 UTC

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Creator: Thierry Thomas

Created: 2023-12-02 17:19:34 UTC

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patch

obsolete

>From bbb9cdbdb012c7011463e7310d1878fb811764a4 Mon Sep 17 00:00:00 2001
>From: Thierry Thomas <thierry@FreeBSD.org>
>Date: Sat, 2 Dec 2023 18:12:11 +0100
>Subject: [PATCH] science/abinit: switch to OpenMPI
>
>Waiting for the error with MPICH-4 to be fixed.
>
>Cf. <https://github.com/abinit/abinit/issues/61>.
>---
> science/abinit/Makefile | 30 +++++++++++++++++++-----------
> 1 file changed, 19 insertions(+), 11 deletions(-)
>
>diff --git a/science/abinit/Makefile b/science/abinit/Makefile
>index 3271dd86d91b..063a00f38263 100644
>--- a/science/abinit/Makefile
>+++ b/science/abinit/Makefile
>@@ -1,5 +1,6 @@
> PORTNAME=	abinit
> DISTVERSION=	9.10.3
>+PORTREVISION=	1
> CATEGORIES=	science
> 
> MAINTAINER=	yuri@FreeBSD.org
>@@ -18,7 +19,6 @@ BUILD_DEPENDS=	gm4:devel/m4	\
> 		${PYTHON_PKGNAMEPREFIX}graphviz>0:graphics/py-graphviz@${PY_FLAVOR}
> LIB_DEPENDS=	libelpa.so:math/elpa		\
> 		libsz.so:science/libaec		\
>-		libelpa.so:math/elpa		\
> 		libxc.so:science/libxc		\
> 		libfftw3.so:math/fftw3		\
> 		libhdf5.so:science/hdf5		\
>@@ -38,8 +38,7 @@ USE_GNOME=	libxml2
> SHEBANG_FILES=	config/scripts/* doc/tutorial/paral_bandpw_assets/abinit.sub.*
> SHEBANG_GLOB=	*.py
> GNU_CONFIGURE=	yes
>-CONFIGURE_ENV=	CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}" FC_LDFLAGS="${LDFLAGS}"	\
>-		H5CC="${LOCALBASE}/bin/h5cc" \
>+CONFIGURE_ENV=	H5CC="${LOCALBASE}/bin/h5cc" \
> 		HDF5_CFLAGS="-I${LOCALBASE}/include" \
> 		HDF5_LDFLAGS="-L${LOCALBASE}/lib -lhdf5" \
> 		LINALG_FCFLAGS="-I${LOCALBASE}/include/elpa-2019.05.002/modules"	\
>@@ -54,19 +53,28 @@ TEST_TARGET=	tests_abirules tests_buildsys # Many tests print RuntimeError, http
> TEST_WRKSRC=	${WRKSRC}/abichecks
> PORTDOCS=	*
> 
>-OPTIONS_DEFINE=			DOCS OPENMP MPI
>-OPTIONS_DEFAULT=		OPENMP MPI
>+OPTIONS_DEFINE=			DOCS OPENMP OPENMPI
>+OPTIONS_DEFAULT=		OPENMP OPENMPI
> 
> OPENMP_CONFIGURE_ENABLE=	openmp
> OPENMP_LDFLAGS=			-lomp
> 
>-MPI_CONFIGURE_WITH=		mpi=yes
>+OPENMPI_CONFIGURE_WITH=		mpi=yes
>+# BROKEN with MPICH4: see <https://github.com/abinit/abinit/issues/61>
>+OPENMPI_USES=			mpi:openmpi
> # fftw3 not enabled because libfftw3_mpi is required but not packaged
>-MPI_VARS=			FFLAGS+=-I${LOCALBASE}/include FCFLAGS+=-I${LOCALBASE}/include	\
>-				CONFIGURE_ENV+=MPI_LIBS="`pkg-config --libs mpich` -lmpifort"	\
>-				CONFIGURE_ENV+MPI_LDFLAGS="`pkg-config --libs mpich` -lmpifort"
>-MPI_BUILD_DEPENDS=		mpich>0:net/mpich
>-MPI_RUN_DEPENDS=		mpich>0:net/mpich
>+OPENMPI_VARS=			FCFLAGS+="`pkg-config --cflags ompi-fort`"
>+OPENMPI_CONFIGURE_ENV=		CC_LDFLAGS="${MPI_LIBS} ${LDFLAGS}"	\
>+				CXX_LDFLAGS="${MPI_LIBS} ${LDFLAGS}"	\
>+				FC_LDFLAGS="${MPI_LIBS} ${LDFLAGS}"	\
>+				CFLAGS="${MPI_CFLAGS} ${CFLAGS}  ${CFLAGS_F2018}"	\
>+				MPI_CPPFLAGS="${MPI_CFLAGS}"	\
>+				MPI_FCFLAGS="`pkg-config --cflags ompi-fort`"	\
>+				MPI_LIBS="${MPI_LIBS}"	\
>+				MPI_LDFLAGS="${MPI_LIBS}"
>+# When OpenMPI is enabled, put its related variables 1st to avoid conflicts with MPICH
>+OPENMPI_CONFIGURE_ENV_OFF=	CC_LDFLAGS="${LDFLAGS}" CXX_LDFLAGS="${LDFLAGS}"	\
>+				FC_LDFLAGS="${LDFLAGS}" CFLAGS="${CFLAGS}"
> 
> .if defined(WITH_LEVMAR)
> # --with-levmar seems deprecated
>-- 
>2.42.1
>

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Attachments on bug 275485: 246725