svn commit: r558350 - head/science/gromacs
Yuri Victorovich
yuri at FreeBSD.org
Fri Dec 18 05:40:05 UTC 2020
Author: yuri
Date: Fri Dec 18 05:40:05 2020
New Revision: 558350
URL: https://svnweb.freebsd.org/changeset/ports/558350
Log:
science/gromacs: Turn the option FLOAT to OFF by default
This is because FLOAT=ON reduces fp accuracy, this probably shouldn't be the default.
Also because its only user in the ports tree, science/votca, needs double fp precision.
Modified:
head/science/gromacs/Makefile
head/science/gromacs/pkg-plist
Modified: head/science/gromacs/Makefile
==============================================================================
--- head/science/gromacs/Makefile Fri Dec 18 04:55:11 2020 (r558349)
+++ head/science/gromacs/Makefile Fri Dec 18 05:40:05 2020 (r558350)
@@ -3,7 +3,7 @@
PORTNAME= gromacs
DISTVERSION= 2020.4
-PORTREVISION= 1
+PORTREVISION= 2
CATEGORIES= science
MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/
@@ -29,7 +29,7 @@ USE_LDCONFIG= yes
OPTIONS_DEFINE= ATLAS FLOAT LEGACY OPENCL OPENMP SIMD X11
OPTIONS_SINGLE= MP
OPTIONS_SINGLE_MP= NOMP MPICH OPENMPI THREAD_MPI
-OPTIONS_DEFAULT= FLOAT LEGACY OPENMP THREAD_MPI X11
+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_SUB= yes
ATLAS_DESC= Use ATLAS for BLAS and LAPACK
Modified: head/science/gromacs/pkg-plist
==============================================================================
--- head/science/gromacs/pkg-plist Fri Dec 18 04:55:11 2020 (r558349)
+++ head/science/gromacs/pkg-plist Fri Dec 18 05:40:05 2020 (r558350)
@@ -106,9 +106,9 @@ include/gromacs/utility/real.h
%%LEGACY%%include/gromacs/utility/stringutil.h
%%LEGACY%%include/gromacs/utility/unique_cptr.h
%%LEGACY%%include/gromacs/version.h
-lib/libgmxapi%%SUFFIX_MPI%%.so
-lib/libgmxapi%%SUFFIX_MPI%%.so.0
-lib/libgmxapi%%SUFFIX_MPI%%.so.0.1.0
+lib/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so
+lib/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so.0
+lib/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so.0.1.0
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5.0.0
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