freebsd/ports
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

science/tinker: Update 8.7.2 -> 8.8.1

Browse Source 
Reported by:	portscout
This commit is contained in:
Yuri Victorovich
2020-08-17 20:37:46 +00:00
parent 0358f01cf0
commit fb2a9880ed
4 changed files with 14 additions and 8 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
science/tinker/Makefile
View File

@@ -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/

6
science/tinker/distinfo
View File

@@ -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

8
science/tinker/files/patch-make_Makefile
View File

@@ -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:

6
science/tinker/pkg-plist
View File

@@ -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