Index: head/science/dftbplus/Makefile
===================================================================
--- head/science/dftbplus/Makefile	(revision 479656)
+++ head/science/dftbplus/Makefile	(revision 479657)
@@ -1,60 +1,67 @@
 # $FreeBSD$
 
 PORTNAME=	dftbplus
 DISTVERSION=	18.2
+PORTREVISION=	1
 CATEGORIES=	science
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Package for performing fast atomistic simulations
 
 LICENSE=	GPLv3+
 
 LIB_DEPENDS=	libblas.so:math/blas \
-		liblapack.so:math/lapack
+		liblapack.so:math/lapack \
+		libomp.so:devel/openmp
 RUN_DEPENDS=	${PYNUMPY}
 
 USES=		fortran gmake python shebangfix
 SHEBANG_FILES=	tools/dptools/bin/* tools/misc/* utils/srcmanip/* utils/build/* external/fypp/bin/* utils/get_opt_externals \
 		external/fypp/bin/fypp utils/test/testlist_to_fypp test/prog/dftb+/bin/tagdiff
 SHEBANG_GLOB=	*.py
 USE_GITHUB=	yes
 GH_TUPLE=	dftbplus:mpifx:099ff75:mpifx/external/mpifx/origin \
 		dftbplus:scalapackfx:86cd6e4:scalapackfx/external/scalapackfx/origin \
 		dftbplus:dftd3-lib:00504a9:dftd3/external/dftd3/origin
 MAKEFILE=	makefile
 
-LDFLAGS+=	-llapack -lblas
+FFLAGS+=	-I${LOCALBASE}/include
+LDFLAGS+=	-llapack -lblas ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgfortran.so -lm ${LOCALBASE}/lib/libomp.so
 
-MAKE_ARGS=	PYTHON=${PYTHON_CMD} INSTALLDIR=${STAGEDIR}${PREFIX} FREEBSD_PYDISTUTILS_INSTALLARGS="${PYDISTUTILS_INSTALLARGS} --root=${STAGEDIR}"
+MAKE_ARGS=	PYTHON=${PYTHON_CMD} FC=${FC} FXX=${FC} LN=${CC} \
+		INSTALLDIR=${STAGEDIR}${PREFIX} FREEBSD_PYDISTUTILS_INSTALLARGS="${PYDISTUTILS_INSTALLARGS} --root=${STAGEDIR}"
 
-OPTIONS_DEFINE=		ARPACK DFTD3 MPI SOCKETS
-OPTIONS_DEFAULT=	ARPACK DFTD3 MPI SOCKETS
+OPTIONS_DEFINE=		DFTD3 MPI SOCKETS ARPACK
+OPTIONS_DEFAULT=	DFTD3 MPI SOCKETS
 
-ARPACK_DESC=		Build with ARPACK for large eigenvalue problems
-ARPACK_MAKE_ENV=	WITH_ARPACK=1
-ARPACK_MAKE_ENV_OFF=	WITH_ARPACK=0
-LIB_LIB_DEPENDS=	libarpack.so:math/arpack
-
 DFTD3_DESC=		Build with libdft3
 DFTD3_MAKE_ENV=		WITH_DFTD3=1
 DFTD3_MAKE_ENV_OFF=	WITH_DFTD3=0
 
 MPI_MAKE_ENV=		WITH_MPI=1
 MPI_MAKE_ENV_OFF=	WITH_MPI=0
 MPI_LIB_DEPENDS=	libmpich.so:net/mpich2 \
 			libscalapack.so:math/scalapack
+MPI_LDFLAGS=		${LOCALBASE}/lib/libmpich.so
 
 SOCKETS_DESC=		Build with sockets library
 SOCKETS_MAKE_ENV=	WITH_SOCKETS=1
 SOCKETS_MAKE_ENV_OFF=	WITH_SOCKETS=0
 SOCKETS_BINARY_ALIAS=	gcc=${CC}
 
+ARPACK_DESC=		Build with ARPACK for large eigenvalue problems
+ARPACK_MAKE_ENV=	WITH_ARPACK=1
+ARPACK_MAKE_ENV_OFF=	WITH_ARPACK=0
+ARPACK_LIB_DEPENDS=	libarpack.so:math/arpack
+ARPACK_PREVENTS=	MPI # ARPACK is only used in a single-core application
+
 MAKE_JOBS_UNSAFE=	yes # race conditions when some options are ON
 
-post-patch:
-	@cd ${WRKSRC} && ${LN} -s sys/make.x86_64-linux-gnu make.arch
+post-extract:
+	@${RM} ${WRKSRC}/external/scalapackfx/origin/test/psyr_result.dat.orig
+	@cd ${WRKSRC} && ${CP} sys/make.x86_64-linux-gnu make.arch
 
 post-install:
 	@cd ${STAGEDIR}${PREFIX}/bin && ${STRIP_CMD} dftb+ modes waveplot
 
 .include <bsd.port.mk>
Index: head/science/dftbplus/files/patch-make.arch
===================================================================
--- head/science/dftbplus/files/patch-make.arch	(nonexistent)
+++ head/science/dftbplus/files/patch-make.arch	(revision 479657)
@@ -0,0 +1,57 @@
+--- make.arch.orig	2018-09-12 23:49:19 UTC
++++ make.arch
+@@ -13,17 +13,17 @@ FXX = mpif90
+ 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
+ 
+ # Linker
+ LN = $(FXX)
+-LNOPT = -fopenmp
++LNOPT = $(LDFLAGS) -fopenmp
+ 
+ # How to link specific libraries
+ 
+ # ScaLAPACK
+-SCALAPACKDIR = /usr/lib
++SCALAPACKDIR = $(PREFIX)
+ LIB_SCALAPACK = -L$(SCALAPACKDIR) -lscalapack
+ 
+ # LAPACK/BLAS
+@@ -49,12 +49,12 @@ 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
+ 
+ # Linker
+ LN = $(FXX)
+-LNOPT = -fopenmp
++LNOPT = $(LDFLAGS) -fopenmp
+ 
+ # How to link specific libraries
+ 
+@@ -88,12 +88,12 @@ LIBOPT = 
+ # Override options for different DEBUG modes
+ ifeq ($(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 = $(CFLAGS) -g -Wall -pedantic -fall-intrinsics
+ endif
+ 
+ ifeq ($(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
+ endif

Property changes on: head/science/dftbplus/files/patch-make.arch
___________________________________________________________________
Added: fbsd:nokeywords
## -0,0 +1 ##
+yes
\ No newline at end of property
Added: svn:eol-style
## -0,0 +1 ##
+native
\ No newline at end of property
Added: svn:mime-type
## -0,0 +1 ##
+text/plain
\ No newline at end of property
Index: head/science/dftbplus/files/patch-make.config
===================================================================
--- head/science/dftbplus/files/patch-make.config	(revision 479656)
+++ head/science/dftbplus/files/patch-make.config	(revision 479657)
@@ -1,37 +1,42 @@
 --- make.config.orig	2018-08-17 17:13:08 UTC
 +++ make.config
 @@ -13,19 +13,19 @@ INSTALLDIR := $(ROOT)/_install
  ################################################################################
  
  # Whether DFTB+ should support MPI-parallelism
 -WITH_MPI := 0
 +WITH_MPI ?= 0
  
  # Whether the socket library (external control) should be linked.
 -WITH_SOCKETS := 1
 +WITH_SOCKETS ?= 1
  
  # Whether the ARPACK library (needed by TD-DFTB) should be linked with DFTB+
  # Only affects serial build (MPI-version is built without ARPACK/TD-DFTB).
 -WITH_ARPACK := 1
 +WITH_ARPACK ?= 1
  
  # Whether the DFTD3 library (dispersion) should be linked.
  # NOTE: Due to license incompatibility, distribution of a DFTB+ binary built
  # with this component is not permitted. Use it only for your personal research.
 -WITH_DFTD3 := 0
 +WITH_DFTD3 ?= 0
  
  ################################################################################
  # General building/testing options
-@@ -55,8 +55,8 @@ COMPILE_DFTD3 := 1
+@@ -55,12 +55,12 @@ COMPILE_DFTD3 := 1
  
  # Set the compile time include and the link time library options for
  # dftd3-lib. Ignored if WITH_DFTD3 has been disabled or COMPILE_DFTD3 enabled.
 -DFTD3_INCS := -I/usr/local/include/dftd3-lib
 -DFTD3_LIBS := -L/usr/local/lib -ldftd3
 +DFTD3_INCS := -I$(PREFIX)/include/dftd3-lib
 +DFTD3_LIBS := -L$(PREFIX)/lib -ldftd3
  
  # Link time library options for linking ARPACK. Ignored if WITH_ARPACK was
  # disabled.
+-ARPACK_LIBS := -larpack
++ARPACK_LIBS := $(PREFIX)/lib/libarpack.so
+ 
+ # Whether ARPACK depends on the external LAPACK and BLAS libraries
+ ARPACK_NEEDS_LAPACK := 0