svn commit: r545188 - in head/science/tinker: . files
Yuri Victorovich
yuri at FreeBSD.org
Mon Aug 17 20:37:48 UTC 2020
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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