New port: science/wannier90: Maximally-localized Wannier functions (MLWFs) and Wannier90

svn path=/head/; revision=478841

science/Makefile

@@ -263,6 +263,7 @@
     SUBDIR += v_sim
     SUBDIR += vmd
     SUBDIR += voro++
+    SUBDIR += wannier90
     SUBDIR += xcrysden
     SUBDIR += xdrawchem
     SUBDIR += xfce4-equake-plugin

science/wannier90/Makefile

@@ -0,0 +1,37 @@
+# $FreeBSD$
+
+PORTNAME=	wannier90
+DISTVERSION=	2.1.0
+CATEGORIES=	science
+MASTER_SITES=	http://www.wannier.org/code/
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Maximally-localized Wannier functions (MLWFs) and Wannier90
+
+LICENSE=	GPLv2
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+LIB_DEPENDS=	libblas.so:math/blas \
+		liblapack.so:math/lapack
+
+USES=		fortran gmake
+USE_LDCONFIG=	yes
+
+MAKE_ARGS=	FCOPTS="-fPIC -O3"
+
+PLIST_FILES=	bin/postw90.x \
+		bin/w90chk2chk.x \
+		bin/wannier90.x \
+		lib/libwannier.so
+
+post-patch:
+	@${REINPLACE_CMD} 's|F90 = gfortran|&${GCC_DEFAULT}|' ${WRKSRC}/config/make.inc.gfort
+	@${RLN} ${WRKSRC}/config/make.inc.gfort ${WRKSRC}/make.inc
+
+do-install:
+.for p in wannier90.x postw90.x w90chk2chk.x
+	${INSTALL_PROGRAM} ${WRKSRC}/${p} ${STAGEDIR}${PREFIX}/bin/${p}
+.endfor
+	${INSTALL_LIB} ${WRKSRC}/libwannier.so ${STAGEDIR}${PREFIX}/lib
+
+.include <bsd.port.mk>

science/wannier90/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1535941251
+SHA256 (wannier90-2.1.0.tar.gz) = ee90108d4bc4aa6a1cf16d72abebcb3087cf6c1007d22dda269eb7e7076bddca
+SIZE (wannier90-2.1.0.tar.gz) = 57264711

science/wannier90/files/patch-src_Makefile.2

@@ -0,0 +1,20 @@
+--- src/Makefile.2.orig	2017-01-11 22:15:31 UTC
++++ src/Makefile.2
+@@ -12,7 +12,7 @@ OBJS2  =  wannier_lib.o
+ OBJS_POST  = ws_distance.o parameters.o kmesh.o io.o comms.o utility.o get_oper.o constants.o \
+              postw90_common.o wan_ham.o spin.o dos.o berry.o kpath.o kslice.o boltzwann.o geninterp.o
+ 
+-LIBRARY = ../../libwannier.a
++LIBRARY = ../../libwannier.so
+ 
+ POSTDIR = ../postw90/
+ 
+@@ -74,7 +74,7 @@ endif 
+ libs:     $(LIBRARY)
+ 
+ $(LIBRARY): $(OBJS) $(OBJS2) 
+-	$(AR) $(ARFLAGS) $(LIBRARY) $(OBJS2) $(OBJS)
++	$(CC) $(LDFLAGS) -shared -o $(LIBRARY) -Wl,-soname,libwannier.so $(OBJS2) $(OBJS)
+ 
+ clean:
+ 	rm -f *.o *.mod *.MOD *.obj

science/wannier90/pkg-descr

@@ -0,0 +1,4 @@
+The computer program that calculates maximally-localized Wannier functions
+(MLWFs) and Wannier90 for quantum chemistry and physics fields.
+
+WWW: http://www.wannier.org/