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science/nwchem: Update 6.8.1.20190820 -> 7.0.0-beta1

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This commit is contained in:
Yuri Victorovich 2019-11-23 17:44:06 +00:00
parent 667deaeb4b
commit e3d17c9095
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=518260
3 changed files with 45 additions and 11 deletions
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5
science/nwchem/Makefile
View file

@ -1,7 +1,9 @@
# $FreeBSD$
PORTNAME= nwchem
PORTVERSION= 6.8.1.20190820
DISTVERSIONPREFIX= v
DISTVERSION= 7.0.0
DISTVERSIONSUFFIX= -beta1
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@ -23,7 +25,6 @@ SHEBANG_FILES= ../contrib/distro-tools/build_* ../contrib/add_* config/64_to_32
SHEBANG_GLOB= *.sh
USE_GITHUB= yes
GH_ACCOUNT= nwchemgit
GH_TAGNAME= master-oct22_2018-351-g2450e37ef
USE_PERL5= build
MAKEFILE= GNUmakefile

6
science/nwchem/distinfo
View file

@ -1,3 +1,3 @@
TIMESTAMP = 1566362064
SHA256 (nwchemgit-nwchem-6.8.1.20190820-master-oct22_2018-351-g2450e37ef_GH0.tar.gz) = b2b42ec5b17f232eb22a311bb99365dfb535553564a009a9ee382be731229fc4
SIZE (nwchemgit-nwchem-6.8.1.20190820-master-oct22_2018-351-g2450e37ef_GH0.tar.gz) = 187981918
TIMESTAMP = 1574526677
SHA256 (nwchemgit-nwchem-v7.0.0-beta1_GH0.tar.gz) = 46f2091db8be60c12fc22685fde3538d81a2067775e20bc8337e48994427ff72
SIZE (nwchemgit-nwchem-v7.0.0-beta1_GH0.tar.gz) = 189380460

45
science/nwchem/files/patch-config_makefile.h
View file

@ -1,11 +1,44 @@
--- config/makefile.h.orig 2018-10-01 05:39:33 UTC
--- config/makefile.h.orig 2019-11-23 16:35:56 UTC
+++ config/makefile.h
@@ -1758,9 +1758,9 @@ endif
ifeq ($(USE_FLANG),1)
GNU_GE_4_6=true
@@ -988,9 +988,9 @@ ifeq ($(TARGET),MACX)
FDEBUG = -O0 -g
FOPTIMIZE = -O2 -ffast-math -Wuninitialized
DEFINES += -DGFORTRAN
- 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)
GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6 ] && echo true)
@@ -1156,9 +1156,9 @@ endif
#
FOPTIMIZE+= -funroll-all-loops -mtune=native
FVECTORIZE=-O3 -ffast-math -mtune=native -mfpmath=sse -msse3 -ftree-vectorize -ftree-vectorizer-verbose=1 -fprefetch-loop-arrays -funroll-all-loops
- GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
+ GNUMAJOR=$(shell $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
ifneq ($(strip $(GNUMAJOR)),)
- GNUMINOR=$(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)
GNU_GE_6 = $(shell [ $(GNUMAJOR) -ge 6 ] && echo true)
@@ -1339,7 +1339,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CY
FOPTIONS = # -Wextra -Wunused
FOPTIMIZE += -ffast-math -Wuninitialized
DEFINES += -DGFORTRAN
- GNUMAJOR=$(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 __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 $(FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18)
- GNUMAJOR=$(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)