svn commit: r551818 - in head/science/nwchem: . files

[Yuri Victorovich]

Author: yuri
Date: Fri Oct  9 20:20:01 2020
New Revision: 551818
URL: https://svnweb.freebsd.org/changeset/ports/551818

Log:
  science/nwchem: Update 7.0.0 -> 7.0.1
  
  Also update WWW.
  
  Reported by:	portscout

Modified:
  head/science/nwchem/Makefile
  head/science/nwchem/distinfo
  head/science/nwchem/files/patch-config_makefile.h
  head/science/nwchem/pkg-descr

Modified: head/science/nwchem/Makefile
==============================================================================
--- head/science/nwchem/Makefile	Fri Oct  9 20:18:56 2020	(r551817)
+++ head/science/nwchem/Makefile	Fri Oct  9 20:20:01 2020	(r551818)
@@ -2,9 +2,8 @@
 
 PORTNAME=	nwchem
 DISTVERSIONPREFIX=	v
-DISTVERSION=	7.0.0
+DISTVERSION=	7.0.1
 DISTVERSIONSUFFIX=	-release
-PORTREVISION=	1
 CATEGORIES=	science
 
 MAINTAINER=	yuri at FreeBSD.org

Modified: head/science/nwchem/distinfo
==============================================================================
--- head/science/nwchem/distinfo	Fri Oct  9 20:18:56 2020	(r551817)
+++ head/science/nwchem/distinfo	Fri Oct  9 20:20:01 2020	(r551818)
@@ -1,3 +1,3 @@
-TIMESTAMP = 1583039663
-SHA256 (nwchemgit-nwchem-v7.0.0-release_GH0.tar.gz) = dc03194513a6d2deecde6e80135b68419dca35483c9ecb45e35c5a028e27b15f
-SIZE (nwchemgit-nwchem-v7.0.0-release_GH0.tar.gz) = 189166887
+TIMESTAMP = 1602250173
+SHA256 (nwchemgit-nwchem-v7.0.1-release_GH0.tar.gz) = b68b36647855eb2038471412a1d4c955e3a417c2abc7851b0bfcfbf1ee8e4fde
+SIZE (nwchemgit-nwchem-v7.0.1-release_GH0.tar.gz) = 189085719

Modified: head/science/nwchem/files/patch-config_makefile.h
==============================================================================
--- head/science/nwchem/files/patch-config_makefile.h	Fri Oct  9 20:18:56 2020	(r551817)
+++ head/science/nwchem/files/patch-config_makefile.h	Fri Oct  9 20:20:01 2020	(r551818)
@@ -1,6 +1,6 @@
---- config/makefile.h.orig	2019-11-23 16:35:56 UTC
+--- config/makefile.h.orig	2020-10-08 04:03:38 UTC
 +++ config/makefile.h
-@@ -988,9 +988,9 @@ ifeq ($(TARGET),MACX)
+@@ -1027,9 +1027,9 @@ ifeq ($(TARGET),MACX)
          FDEBUG = -O0 -g
          FOPTIMIZE  = -O2 -ffast-math -Wuninitialized 
          DEFINES  += -DGFORTRAN
@@ -12,7 +12,7 @@
          GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
          GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
          GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6  ] && echo true)
-@@ -1156,9 +1156,9 @@ endif
+@@ -1195,9 +1195,9 @@ endif
  #
           FOPTIMIZE+= -funroll-all-loops -mtune=native 
           FVECTORIZE=-O3 -ffast-math -mtune=native -mfpmath=sse -msse3 -ftree-vectorize -ftree-vectorizer-verbose=1   -fprefetch-loop-arrays  -funroll-all-loops 
@@ -24,7 +24,7 @@
          GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
          GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
          GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6  ] && echo true)
-@@ -1339,7 +1339,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CY
+@@ -1378,7 +1378,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CY
          FOPTIONS   = # -Wextra -Wunused  
          FOPTIMIZE  += -ffast-math -Wuninitialized
          DEFINES  += -DGFORTRAN
@@ -33,15 +33,3 @@
          ifdef GNUMAJOR
            GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __VERS | cut -c24)
            GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
-@@ -1768,9 +1768,9 @@ endif
-          CFLAGS_FORGA = -mcmodel=medium
-          FFLAGS_FORGA = -mcmodel=medium
-         else
--        GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
-+        GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
-         ifdef GNUMAJOR
--        GNUMINOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
-+        GNUMINOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | egrep __GNUC_MINOR | cut -c24)
-         GNU_GE_4_6 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 6 \) ] && echo true)
-         GNU_GE_4_8 = $(shell [ $(GNUMAJOR) -gt 4 -o \( $(GNUMAJOR) -eq 4 -a $(GNUMINOR) -ge 8 \) ] && echo true)
-         endif

Modified: head/science/nwchem/pkg-descr
==============================================================================
--- head/science/nwchem/pkg-descr	Fri Oct  9 20:18:56 2020	(r551817)
+++ head/science/nwchem/pkg-descr	Fri Oct  9 20:20:01 2020	(r551818)
@@ -12,4 +12,4 @@ NWChem software can handle:
 * Scaling from one to thousands of processors
 * Properties and relativistic effects 
 
-WWW: http://www.nwchem-sw.org/index.php/Main_Page
+WWW: https://nwchemgit.github.io/