svn commit: r507991 - in head/science/dftbplus: . files

Yuri Victorovich yuri at FreeBSD.org
Sat Aug 3 19:59:36 UTC 2019 

Author: yuri
Date: Sat Aug  3 19:59:34 2019
New Revision: 507991
URL: https://svnweb.freebsd.org/changeset/ports/507991

Log:
  science/dftbplus: Update 18.2 -> 19.1
  
  Reported by:	portscout

Modified:
  head/science/dftbplus/Makefile
  head/science/dftbplus/distinfo
  head/science/dftbplus/files/patch-make.arch
  head/science/dftbplus/files/patch-makefile
  head/science/dftbplus/pkg-plist

Modified: head/science/dftbplus/Makefile
==============================================================================
--- head/science/dftbplus/Makefile	Sat Aug  3 19:28:52 2019	(r507990)
+++ head/science/dftbplus/Makefile	Sat Aug  3 19:59:34 2019	(r507991)
@@ -1,8 +1,7 @@
 # $FreeBSD$
 
 PORTNAME=	dftbplus
-DISTVERSION=	18.2
-PORTREVISION=	8
+DISTVERSION=	19.1
 CATEGORIES=	science
 
 MAINTAINER=	yuri at FreeBSD.org

Modified: head/science/dftbplus/distinfo
==============================================================================
--- head/science/dftbplus/distinfo	Sat Aug  3 19:28:52 2019	(r507990)
+++ head/science/dftbplus/distinfo	Sat Aug  3 19:59:34 2019	(r507991)
@@ -1,6 +1,6 @@
-TIMESTAMP = 1536799309
-SHA256 (dftbplus-dftbplus-18.2_GH0.tar.gz) = 21846f0866cc8ca40d80776d2786c41aac3b05d759e8137c10490b677ab93e6c
-SIZE (dftbplus-dftbplus-18.2_GH0.tar.gz) = 1053090
+TIMESTAMP = 1564860270
+SHA256 (dftbplus-dftbplus-19.1_GH0.tar.gz) = 4d07f5c6102f06999d8cfdb1d17f5b59f9f2b804697f14b3bc562e3ea094b8a8
+SIZE (dftbplus-dftbplus-19.1_GH0.tar.gz) = 3437908
 SHA256 (dftbplus-mpifx-099ff75_GH0.tar.gz) = 444d5f73eb112a9bb8e225e394aa5cd52406c69e652fd39a491fff696f5f8573
 SIZE (dftbplus-mpifx-099ff75_GH0.tar.gz) = 59513
 SHA256 (dftbplus-scalapackfx-86cd6e4_GH0.tar.gz) = 81e6330f392d3766199f646877e3fd2fe2bf2be6da26b3163a8fdb6a51ff88f1

Modified: head/science/dftbplus/files/patch-make.arch
==============================================================================
--- head/science/dftbplus/files/patch-make.arch	Sat Aug  3 19:28:52 2019	(r507990)
+++ head/science/dftbplus/files/patch-make.arch	Sat Aug  3 19:59:34 2019	(r507991)
@@ -1,13 +1,13 @@
---- make.arch.orig	2018-09-12 23:49:19 UTC
+--- make.arch.orig	2019-08-03 19:28:08 UTC
 +++ make.arch
-@@ -13,17 +13,17 @@ FXX = mpif90
+@@ -18,12 +18,12 @@ FXX = mpifort
  CC = gcc
  
  # Compiler options
--FXXOPT = -O2 -funroll-all-loops -fopenmp
--CCOPT = -O2 -funroll-all-loops -fall-intrinsics
-+FXXOPT = $(FFLAGS) -funroll-all-loops -fopenmp
-+CCOPT = $(CFLAGS) -funroll-all-loops -fall-intrinsics
+-FXXOPT = -O2 -funroll-all-loops -fopenmp -fall-intrinsics
+-CCOPT = -O2 -funroll-all-loops
++FXXOPT = $(FFLAGS) -funroll-all-loops -fopenmp -fall-intrinsics
++CCOPT = $(CFLAGS) -funroll-all-loops
  
  # Linker
  LN = $(FXX)
@@ -16,42 +16,38 @@
  
  # How to link specific libraries
  
- # ScaLAPACK
--SCALAPACKDIR = /usr/lib
-+SCALAPACKDIR = $(PREFIX)/lib
- LIB_SCALAPACK = -L$(SCALAPACKDIR) -lscalapack
- 
- # LAPACK/BLAS
-@@ -49,12 +49,12 @@ FXX = gfortran
+@@ -75,12 +75,12 @@ FXX = gfortran
  CC = gcc
  
  # Compiler options
--FXXOPT = -O2 -funroll-all-loops -fopenmp
--CCOPT = -O2 -funroll-all-loops -fall-intrinsics
-+FXXOPT = $(FFLAGS) -funroll-all-loops -fopenmp
-+CCOPT = $(CFLAGS) -funroll-all-loops -fall-intrinsics
+-FXXOPT = -O2 -funroll-all-loops -fopenmp -fall-intrinsics
+-CCOPT = -O2 -funroll-all-loops
++FXXOPT = $(FFLAGS) -funroll-all-loops -fopenmp -fall-intrinsics
++CCOPT = $(CFLAGS) -funroll-all-loops
  
  # Linker
  LN = $(FXX)
 -LNOPT = -fopenmp
 +LNOPT = $(LDFLAGS) -fopenmp
  
- # How to link specific libraries
- 
-@@ -88,12 +88,12 @@ LIBOPT = 
+ # GPU extra settings
+ ifeq ($(strip $(WITH_GPU)),1)
+@@ -159,14 +159,14 @@ ARPACK_NEEDS_LAPACK = 0
  # Override options for different DEBUG modes
  ifeq ($(strip $(DEBUG)),1)
-     OTHERLIBS = 
--    FXXOPT = -fopenmp -g -Wall -std=f2008 -pedantic
--    CCOPT = -g -Wall -pedantic -fall-intrinsics
-+    FXXOPT = $(FFLAGS) -fopenmp -g -Wall -std=f2008 -pedantic
-+    CCOPT = $(CFLAGS) -g -Wall -pedantic -fall-intrinsics
+     OTHERLIBS =
+-    FXXOPT = -fopenmp -g -Wall -pedantic -fall-intrinsics #-std=f2008
+-    CCOPT = -g -Wall -pedantic
++    FXXOPT = $(FFLAGS) -fopenmp -g -Wall -pedantic -fall-intrinsics #-std=f2008
++    CCOPT = $(CFLAGS) -g -Wall -pedantic
  endif
  
  ifeq ($(strip $(DEBUG)),2)
-     OTHERLIBS = 
--    FXXOPT = -fopenmp -g -Wall -std=f2008 -pedantic -fbounds-check
--    CCOPT = -g -Wall -pedantic -fall-intrinsics -fbounds-check
-+    FXXOPT = $(FFLAGS) -fopenmp -g -Wall -std=f2008 -pedantic -fbounds-check
-+    CCOPT = $(CFLAGS) -g -Wall -pedantic -fall-intrinsics -fbounds-check
+     OTHERLIBS =
+-    FXXOPT = -fopenmp -g -Wall -pedantic -fbounds-check #-std=f2008
++    FXXOPT = $(FFLAGS) -fopenmp -g -Wall -pedantic -fbounds-check #-std=f2008
+     FXXOPT += -Wno-unused-variable -Wno-unused-dummy-argument -Wno-unused-function -Wno-uninitialized
+     FXXOPT += -fall-intrinsics
+-    CCOPT = -g -Wall -pedantic -fbounds-check
++    CCOPT = $(CFLAGS) -g -Wall -pedantic -fbounds-check
  endif

Modified: head/science/dftbplus/files/patch-makefile
==============================================================================
--- head/science/dftbplus/files/patch-makefile	Sat Aug  3 19:28:52 2019	(r507990)
+++ head/science/dftbplus/files/patch-makefile	Sat Aug  3 19:59:34 2019	(r507991)
@@ -1,22 +1,24 @@
---- makefile.orig	2018-08-17 17:13:08 UTC
+--- makefile.orig	2019-08-03 19:41:26 UTC
 +++ makefile
-@@ -10,7 +10,9 @@ ROOT := $(PWD)
- .PHONY: default misc all
- default: dftb+ modes waveplot
+@@ -20,9 +20,11 @@ ifeq ($(strip $(WITH_TRANSPORT)),1)
+   default: setupgeom transporttools
+ endif
  misc: misc_skderivs misc_slakovalue
 -all: default misc
 +all: print-WITH_DFTD3 print-WITH_MPI print-WITH_SOCKETS print-WITH_ARPACK default misc
-+
-+print-%  : ; @echo "Build variable: " $* = $($*)
+ api: api_mm
  
- .PHONY: install install_misc install_all
++print-%  : ; @echo "Build variable: " $* = $($*)
++
+ .PHONY: install install_misc install_all install_api
  install: install_dftb+ install_modes install_waveplot install_dptools
-@@ -127,7 +129,7 @@ PYTHON := python
+ ifeq ($(strip $(WITH_TRANSPORT)),1)
+@@ -203,7 +205,7 @@ PYTHON := python
  .PHONY: install_dptools
  install_dptools:
  	cd $(ROOT)/tools/dptools \
 -            && $(PYTHON) setup.py install --prefix $(INSTALLDIR)
 +            && $(PYTHON) setup.py install $(FREEBSD_PYDISTUTILS_INSTALLARGS)
  
- ################################################################################
- # Check targets
+ 
+ .PHONY: install_tools_misc

Modified: head/science/dftbplus/pkg-plist
==============================================================================
--- head/science/dftbplus/pkg-plist	Sat Aug  3 19:28:52 2019	(r507990)
+++ head/science/dftbplus/pkg-plist	Sat Aug  3 19:59:34 2019	(r507991)
@@ -9,7 +9,7 @@ bin/repeatgen
 bin/straingen
 bin/waveplot
 bin/xyz2gen
-%%PYTHON_SITELIBDIR%%/dptools-18.2-py%%PYTHON_VER%%.egg-info
+%%PYTHON_SITELIBDIR%%/dptools-19.1-py%%PYTHON_VER%%.egg-info
 %%PYTHON_SITELIBDIR%%/dptools/__init__.py
 %%PYTHON_SITELIBDIR%%/dptools/__init__.pyc
 %%PYTHON_SITELIBDIR%%/dptools/__init__.pyo

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