Date: Mon, 17 Aug 2020 20:37:47 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r545188 - in head/science/tinker: . files Message-ID: <202008172037.07HKbldQ045796@repo.freebsd.org>
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Author: yuri Date: Mon Aug 17 20:37:46 2020 New Revision: 545188 URL: https://svnweb.freebsd.org/changeset/ports/545188 Log: science/tinker: Update 8.7.2 -> 8.8.1 Reported by: portscout Modified: head/science/tinker/Makefile head/science/tinker/distinfo head/science/tinker/files/patch-make_Makefile head/science/tinker/pkg-plist Modified: head/science/tinker/Makefile ============================================================================== --- head/science/tinker/Makefile Mon Aug 17 20:29:17 2020 (r545187) +++ head/science/tinker/Makefile Mon Aug 17 20:37:46 2020 (r545188) @@ -2,7 +2,7 @@ # $FreeBSD$ PORTNAME= tinker -DISTVERSION= 8.7.2 +DISTVERSION= 8.8.1 CATEGORIES= science MASTER_SITES= https://dasher.wustl.edu/tinker/downloads/ Modified: head/science/tinker/distinfo ============================================================================== --- head/science/tinker/distinfo Mon Aug 17 20:29:17 2020 (r545187) +++ head/science/tinker/distinfo Mon Aug 17 20:37:46 2020 (r545188) @@ -1,3 +1,3 @@ -TIMESTAMP = 1575013260 -SHA256 (tinker-8.7.2.tar.gz) = f9e94ae0684d527cd2772a4a7a05c41864ce6246f1194f6c1c402a94598151c2 -SIZE (tinker-8.7.2.tar.gz) = 57443577 +TIMESTAMP = 1597694919 +SHA256 (tinker-8.8.1.tar.gz) = 8477afb51a0dcbba421948645eb77df3d071de984440b2e2d14063f9477e6d2e +SIZE (tinker-8.8.1.tar.gz) = 69052620 Modified: head/science/tinker/files/patch-make_Makefile ============================================================================== --- head/science/tinker/files/patch-make_Makefile Mon Aug 17 20:29:17 2020 (r545187) +++ head/science/tinker/files/patch-make_Makefile Mon Aug 17 20:37:46 2020 (r545188) @@ -1,9 +1,9 @@ ---- make/Makefile.orig 2019-07-11 19:35:55 UTC +--- make/Makefile.orig 2020-07-27 02:52:19 UTC +++ make/Makefile -@@ -84,9 +84,9 @@ APBS_LIBS = -lapbsmainroutines -lapbs -lmaloc -lapbsbl - +@@ -87,9 +87,9 @@ APBS_LIBS = -lapbsmainroutines -lapbs -lmaloc -lapbsbl F77 = gfortran F77FLAGS = -c + #OPTFLAGS = -Ofast -march=native -fopenmp -OPTFLAGS = -Ofast -mssse3 -fopenmp +OPTFLAGS = -Ofast $(PORT_SIMD_FLAGS) -fopenmp #OPTFLAGS = -Og -fbacktrace -fcheck=bounds -Wunused -Wmaybe-uninitialized @@ -12,7 +12,7 @@ LIBS = LIBFLAGS = -crusv RANLIB = ranlib -c -@@ -802,132 +802,132 @@ listing: +@@ -813,132 +813,132 @@ listing: cat *.f *.c > tinker.txt rename_bin: Modified: head/science/tinker/pkg-plist ============================================================================== --- head/science/tinker/pkg-plist Mon Aug 17 20:29:17 2020 (r545187) +++ head/science/tinker/pkg-plist Mon Aug 17 20:37:46 2020 (r545188) @@ -72,6 +72,7 @@ bin/xyzpdb %%DATADIR%%/params/amoebabio18.prm %%DATADIR%%/params/amoebanuc17.prm %%DATADIR%%/params/amoebaplus.prm +%%DATADIR%%/params/amoebapluscf.prm %%DATADIR%%/params/amoebapro04.prm %%DATADIR%%/params/amoebapro13.prm %%DATADIR%%/params/charmm19.prm @@ -170,6 +171,11 @@ bin/xyzpdb %%DATADIR%%/test/ifabp.log %%DATADIR%%/test/ifabp.run %%DATADIR%%/test/ifabp.xyz +%%DATADIR%%/test/methanol.dat +%%DATADIR%%/test/methanol.dma +%%DATADIR%%/test/methanol.key +%%DATADIR%%/test/methanol.log +%%DATADIR%%/test/methanol.run %%DATADIR%%/test/nitrogen.arc %%DATADIR%%/test/nitrogen.key %%DATADIR%%/test/nitrogen.log
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