From 98b078ed4d937e86d767bf736ca943a3a38f5ea2 Mon Sep 17 00:00:00 2001
From: Yuri Victorovich <yuri@FreeBSD.org>
Date: Wed, 16 Jan 2019 04:36:12 +0000
Subject: [PATCH] science/tinker: Update 8.4.4 -> 8.5.3

Reported by:	portscout
---
 science/tinker/Makefile                  |  3 +--
 science/tinker/distinfo                  |  6 +++---
 science/tinker/files/patch-make_Makefile | 10 +++++++---
 science/tinker/pkg-plist                 |  2 ++
 4 files changed, 13 insertions(+), 8 deletions(-)

diff --git a/science/tinker/Makefile b/science/tinker/Makefile
index 2b73f35e6909..7a8539a7cb3e 100644
--- a/science/tinker/Makefile
+++ b/science/tinker/Makefile
@@ -2,8 +2,7 @@
 # $FreeBSD$
 
 PORTNAME=	tinker
-DISTVERSION=	8.4.4
-PORTREVISION=	2
+DISTVERSION=	8.5.3
 CATEGORIES=	science
 MASTER_SITES=	https://dasher.wustl.edu/tinker/downloads/
 
diff --git a/science/tinker/distinfo b/science/tinker/distinfo
index d20c59c39ccc..79deee1a487a 100644
--- a/science/tinker/distinfo
+++ b/science/tinker/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1538861663
-SHA256 (tinker-8.4.4.tar.gz) = c263298383bcd5a72f281d25640f7be2e9c465e08c1a61c3c3de59b6bb828da6
-SIZE (tinker-8.4.4.tar.gz) = 35549655
+TIMESTAMP = 1547612122
+SHA256 (tinker-8.5.3.tar.gz) = 96ede325ce32a1a330d1e9e62258b089a9a8563769b16eb42705e6415355ed86
+SIZE (tinker-8.5.3.tar.gz) = 41931411
diff --git a/science/tinker/files/patch-make_Makefile b/science/tinker/files/patch-make_Makefile
index daae1f67378d..c39aa9924608 100644
--- a/science/tinker/files/patch-make_Makefile
+++ b/science/tinker/files/patch-make_Makefile
@@ -1,4 +1,4 @@
---- make/Makefile.orig	2018-05-01 03:12:05 UTC
+--- make/Makefile.orig	2019-01-16 04:21:45 UTC
 +++ make/Makefile
 @@ -84,7 +84,7 @@ APBS_LIBS = -lapbsmainroutines -lapbs -l
  
@@ -6,10 +6,10 @@
  F77FLAGS = -c
 -OPTFLAGS = -Ofast -mssse3 -fopenmp
 +OPTFLAGS = -Ofast $(PORT_SIMD_FLAGS) -fopenmp
+ #OPTFLAGS = -Og -fbacktrace -fcheck=bounds -Wunused -Wmaybe-uninitialized
  LIBDIR = -L. -L$(TINKER_LIBDIR)/macos
  LIBS = 
- LIBFLAGS = -crusv
-@@ -754,130 +754,130 @@ listing:
+@@ -787,132 +787,132 @@ listing:
  	cat *.f *.c > tinker.txt
  
  rename_bin:
@@ -61,6 +61,7 @@
 -	mv  testpair.x   $(BINDIR)/testpair
 -	mv  testpol.x    $(BINDIR)/testpol
 -	mv  testrot.x    $(BINDIR)/testrot
+-	mv  testvir.x    $(BINDIR)/testvir
 -	mv  timer.x      $(BINDIR)/timer
 -	mv  timerot.x    $(BINDIR)/timerot
 -	mv  torsfit.x    $(BINDIR)/torsfit
@@ -122,6 +123,7 @@
 +	${BSD_INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair
 +	${BSD_INSTALL_PROGRAM}  testpol.x    $(BINDIR)/testpol
 +	${BSD_INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
++	${BSD_INSTALL_PROGRAM}  testvir.x    $(BINDIR)/testvir
 +	${BSD_INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
 +	${BSD_INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
 +	${BSD_INSTALL_PROGRAM}  torsfit.x    $(BINDIR)/torsfit
@@ -185,6 +187,7 @@
 -	mv  testpair.x   $(BINDIR)/testpair.exe
 -	mv  testpol.x    $(BINDIR)/testpol.exe
 -	mv  testrot.x    $(BINDIR)/testrot.exe
+-	mv  testvir.x    $(BINDIR)/testvir.exe
 -	mv  timer.x      $(BINDIR)/timer.exe
 -	mv  timerot.x    $(BINDIR)/timerot.exe
 -	mv  torsfit.x    $(BINDIR)/torsfit.exe
@@ -246,6 +249,7 @@
 +	${BSD_INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair.exe
 +	${BSD_INSTALL_PROGRAM}  testpol.x    $(BINDIR)/testpol.exe
 +	${BSD_INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot.exe
++	${BSD_INSTALL_PROGRAM}  testvir.x    $(BINDIR)/testvir.exe
 +	${BSD_INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer.exe
 +	${BSD_INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot.exe
 +	${BSD_INSTALL_PROGRAM}  torsfit.x    $(BINDIR)/torsfit.exe
diff --git a/science/tinker/pkg-plist b/science/tinker/pkg-plist
index 37d34dca21b1..abdad02c537c 100644
--- a/science/tinker/pkg-plist
+++ b/science/tinker/pkg-plist
@@ -46,6 +46,7 @@ bin/testhess
 bin/testpair
 bin/testpol
 bin/testrot
+bin/testvir
 bin/timer
 bin/timerot
 bin/torsfit
@@ -76,6 +77,7 @@ bin/xyzpdb
 %%DATADIR%%/params/charmm22.prm
 %%DATADIR%%/params/charmm22cmap.prm
 %%DATADIR%%/params/dang.prm
+%%DATADIR%%/params/hippo18.prm
 %%DATADIR%%/params/hoch.prm
 %%DATADIR%%/params/iwater.prm
 %%DATADIR%%/params/mm2.prm