New port: science/siesta: Program to perform efficient electronic structure calculations

svn path=/head/; revision=478886

science/Makefile

@@ -244,6 +244,7 @@
     SUBDIR += rubygem-rgeo-shapefile
     SUBDIR += rubygem-ruby-dcl
     SUBDIR += rubygem-ruby-netcdf
+    SUBDIR += siesta
     SUBDIR += sigrok-cli
     SUBDIR += sigrok-firmware
     SUBDIR += sigrok-firmware-fx2lafw

science/siesta/Makefile

@@ -0,0 +1,34 @@
+# $FreeBSD$
+
+PORTNAME=	siesta
+DISTVERSION=	4.0.2
+CATEGORIES=	science
+MASTER_SITES=	https://launchpad.net/${PORTNAME}/${DISTVERSION:R}/${DISTVERSION}/+download/
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Program to perform efficient electronic structure calculations
+
+LICENSE=	GPLv3
+LICENSE_FILE=	${WRKSRC}/../COPYING
+
+LIB_DEPENDS=	libblas.so:math/blas \
+		liblapack.so:math/lapack
+
+USES=		fortran gmake localbase:ldflags
+GNU_CONFIGURE=	yes
+CONFIGURE_SCRIPT=	../Src/configure
+ALL_TARGET=	default
+
+WRKSRC_SUBDIR=	Obj
+
+MAKE_JOBS_UNSAFE=	yes
+
+PLIST_FILES=	bin/${PORTNAME}
+
+pre-configure:
+	@cd ${WRKSRC} && ${SETENV} ${MAKE_ENV} ${SH} ../Src/obj_setup.sh
+
+do-install:
+	${INSTALL_PROGRAM} ${WRKSRC}/${PORTNAME} ${STAGEDIR}${PREFIX}/bin
+
+.include <bsd.port.mk>

science/siesta/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1535956967
+SHA256 (siesta-4.0.2.tar.gz) = bafbda19358f0c1dd39bb1253c92ee548791a1c0f648977051d2657216874f7e
+SIZE (siesta-4.0.2.tar.gz) = 9627717

science/siesta/pkg-descr

@@ -0,0 +1,10 @@
+SIESTA is both a method and its computer program implementation, to perform
+efficient electronic structure calculations and ab initio molecular dynamics
+simulations of molecules and solids. SIESTA's efficiency stems from the use of
+strictly localized basis sets and from the implementation of linear-scaling
+algorithms which can be applied to suitable systems. A very important feature
+of the code is that its accuracy and cost can be tuned in a wide range, from
+quick exploratory calculations to highly accurate simulations matching the
+quality of other approaches, such as plane-wave and all-electron methods.
+
+WWW: https://departments.icmab.es/leem/siesta/