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| author | danfe <danfe@FreeBSD.org> | 2015-10-26 18:10:10 +0800 |
|---|---|---|
| committer | danfe <danfe@FreeBSD.org> | 2015-10-26 18:10:10 +0800 |
| commit | 3be33041d5dff465c35ccf66ce7e573e8225ec19 (patch) | |
| tree | 85c3eb7d83f7ff3dc4a1fce7715dbdc4be981425 | |
| parent | b65683835e3a8d680388eeedfc5781ccac136f80 (diff) | |
| download | freebsd-ports-gnome-3be33041d5dff465c35ccf66ce7e573e8225ec19.tar.gz freebsd-ports-gnome-3be33041d5dff465c35ccf66ce7e573e8225ec19.tar.zst freebsd-ports-gnome-3be33041d5dff465c35ccf66ce7e573e8225ec19.zip | |
Add a port of Libxc, a library of exchange-correlation functionals for
density-functional theory.
PR: 201266 (modified)
Submitted by: Johannes Dieterich
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/libxc/Makefile | 33 | ||||
| -rw-r--r-- | science/libxc/distinfo | 2 | ||||
| -rw-r--r-- | science/libxc/pkg-descr | 9 | ||||
| -rw-r--r-- | science/libxc/pkg-plist | 14 |
5 files changed, 59 insertions, 0 deletions
diff --git a/science/Makefile b/science/Makefile index 41dd309850d1..02dd6c21f03a 100644 --- a/science/Makefile +++ b/science/Makefile @@ -76,6 +76,7 @@ SUBDIR += libquantum SUBDIR += libsvm SUBDIR += libsvm-python + SUBDIR += libxc SUBDIR += linsmith SUBDIR += massxpert SUBDIR += mbdyn diff --git a/science/libxc/Makefile b/science/libxc/Makefile new file mode 100644 index 000000000000..340ad73c0022 --- /dev/null +++ b/science/libxc/Makefile @@ -0,0 +1,33 @@ +# Created by: Johannes Dieterich <dieterich@ogolem.org> +# $FreeBSD$ + +PORTNAME= libxc +PORTVERSION= 2.1.2 +CATEGORIES= science +MASTER_SITES= http://www.tddft.org/programs/octopus/download/libxc/ + +MAINTAINER= dieterich@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> diff --git a/science/libxc/distinfo b/science/libxc/distinfo new file mode 100644 index 000000000000..d88c6f4246f2 --- /dev/null +++ b/science/libxc/distinfo @@ -0,0 +1,2 @@ +SHA256 (libxc-2.1.2.tar.gz) = 6c866168fa6245e6777cec8a1da257975e2e4cf410681416e248fbff2b03e55d +SIZE (libxc-2.1.2.tar.gz) = 724139 diff --git a/science/libxc/pkg-descr b/science/libxc/pkg-descr new file mode 100644 index 000000000000..8fa3db40f265 --- /dev/null +++ b/science/libxc/pkg-descr @@ -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 diff --git a/science/libxc/pkg-plist b/science/libxc/pkg-plist new file mode 100644 index 000000000000..f365ff3edaf9 --- /dev/null +++ b/science/libxc/pkg-plist @@ -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 |