New port: science/fleur: FLAPW code for atomic computations in quantum chemistry and physics

svn path=/head/; revision=478820

science/Makefile

@@ -64,6 +64,7 @@
     SUBDIR += fastcap
     SUBDIR += fasthenry
     SUBDIR += fisicalab
+    SUBDIR += fleur
     SUBDIR += fsom
     SUBDIR += fvcom
     SUBDIR += fvcom-mpi

science/fleur/Makefile

@@ -0,0 +1,25 @@
+# $FreeBSD$
+
+PORTNAME=	fleur
+DISTVERSION=	0.27-3 # Release 3 of Version 0.27
+CATEGORIES=	science
+MASTER_SITES=	http://www.flapw.de/pm/uploads/FLEUR/
+DISTNAME=	fleurMaXR${DISTVERSION:C/.*-//}
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	FLAPW code for atomic computations in quantum chemistry and physics
+
+LICENSE=	MIT
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+LIB_DEPENDS=	libopenblas.so:math/openblas
+
+USES=		cmake:outsource,noninja fortran localbase:ldflags tar:tgz
+USE_GNOME=	libxml2
+
+WRKSRC=		${WRKDIR}/${PORTNAME}
+
+PLIST_FILES=	bin/fleur \
+		bin/inpgen
+
+.include <bsd.port.mk>

science/fleur/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1535917154
+SHA256 (fleurMaXR3.tgz) = 71dd93165ab9148cdab507084297becb6ad419e4c10be871c647e6e45caa185c
+SIZE (fleurMaXR3.tgz) = 10118106

science/fleur/pkg-descr

@@ -0,0 +1,7 @@
+The FLAPW-Method (Full Potential Linearized Augmented Plane Wave Method) is an
+all-electron method which within density functional theory is universally
+applicable to all atoms of the periodic table and to systems with compact
+as well as open structures. It is widely considered to be the most precise
+electronic structure method in solid state physics.
+
+WWW: http://www.flapw.de/pm/index.php