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Code Issues Releases Activity

science/tinker: Update 8.4.4 -> 8.5.3

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2019-01-16 04:36:12 +00:00
parent 72c8686570
commit 98b078ed4d
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=490442
4 changed files with 13 additions and 8 deletions
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3
science/tinker/Makefile
View File

@ -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/

6
science/tinker/distinfo
View File

@ -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

10
science/tinker/files/patch-make_Makefile
View File

@ -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

2
science/tinker/pkg-plist
View File

@ -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