svn commit: r400179 - in head/science: . libxc

[Alexey Dokuchaev]

Author: danfe
Date: Mon Oct 26 10:10:10 2015
New Revision: 400179
URL: https://svnweb.freebsd.org/changeset/ports/400179

Log:
  Add a port of Libxc, a library of exchange-correlation functionals for
  density-functional theory.
  
  PR:		201266 (modified)
  Submitted by:	Johannes Dieterich

Added:
  head/science/libxc/
  head/science/libxc/Makefile   (contents, props changed)
  head/science/libxc/distinfo   (contents, props changed)
  head/science/libxc/pkg-descr   (contents, props changed)
  head/science/libxc/pkg-plist   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Mon Oct 26 09:29:28 2015	(r400178)
+++ head/science/Makefile	Mon Oct 26 10:10:10 2015	(r400179)
@@ -76,6 +76,7 @@
     SUBDIR += libquantum
     SUBDIR += libsvm
     SUBDIR += libsvm-python
+    SUBDIR += libxc
     SUBDIR += linsmith
     SUBDIR += massxpert
     SUBDIR += mbdyn

Added: head/science/libxc/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libxc/Makefile	Mon Oct 26 10:10:10 2015	(r400179)
@@ -0,0 +1,33 @@
+# Created by: Johannes Dieterich <dieterich at ogolem.org>
+# $FreeBSD$
+
+PORTNAME=	libxc
+PORTVERSION=	2.1.2
+CATEGORIES=	science
+MASTER_SITES=	http://www.tddft.org/programs/octopus/download/libxc/
+
+MAINTAINER=	dieterich at ogolem.org
+COMMENT=	Library of exchange-correlation functionals for DFT
+
+LICENSE=	LGPL3
+LICENSE_FILE=	${WRKSRC}/COPYING
+
+USES=		fortran gmake libtool perl5
+GNU_CONFIGURE=	yes
+CONFIGURE_ARGS=	--enable-shared
+USE_LDCONFIG=	yes
+
+INSTALL_TARGET=	install-strip
+
+post-patch:
+	@${REINPLACE_CMD} -e '/^pkgconfigdir =/s,libdir),prefix)/libdata,' \
+		${WRKSRC}/build/Makefile.in
+
+.include <bsd.port.pre.mk>
+
+.if ${OPSYS} == FreeBSD && ${OSVERSION} < 1000034
+LIB_DEPENDS+=	libml.so:${PORTSDIR}/math/ldouble
+LDFLAGS+=	-lml
+.endif
+
+.include <bsd.port.post.mk>

Added: head/science/libxc/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libxc/distinfo	Mon Oct 26 10:10:10 2015	(r400179)
@@ -0,0 +1,2 @@
+SHA256 (libxc-2.1.2.tar.gz) = 6c866168fa6245e6777cec8a1da257975e2e4cf410681416e248fbff2b03e55d
+SIZE (libxc-2.1.2.tar.gz) = 724139

Added: head/science/libxc/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libxc/pkg-descr	Mon Oct 26 10:10:10 2015	(r400179)
@@ -0,0 +1,9 @@
+Libxc is library of exchange-correlation functionals for density-functional
+theory.  The aim is to provide a portable, well tested and reliable set of
+exchange and correlation functionals that can be used by all the ETSF codes
+and also other codes.
+
+In libxc you can find different types of functionals: LDA, GGA, hybrids,
+and mGGA (experimental).
+
+WWW: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

Added: head/science/libxc/pkg-plist
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/libxc/pkg-plist	Mon Oct 26 10:10:10 2015	(r400179)
@@ -0,0 +1,14 @@
+bin/xc-info
+include/libxc_funcs_m.mod
+include/xc.h
+include/xc_config.h
+include/xc_f90_lib_m.mod
+include/xc_f90_types_m.mod
+include/xc_funcs.h
+include/xc_unconfig.h
+include/xc_version.h
+lib/libxc.a
+lib/libxc.so
+lib/libxc.so.1
+lib/libxc.so.1.1.2
+libdata/pkgconfig/libxc.pc