svn commit: r478820 - in head/science: . fleur
Yuri Victorovich
yuri at FreeBSD.org
Sun Sep 2 21:10:31 UTC 2018
Author: yuri
Date: Sun Sep 2 21:10:29 2018
New Revision: 478820
URL: https://svnweb.freebsd.org/changeset/ports/478820
Log:
New port: science/fleur: FLAPW code for atomic computations in quantum chemistry and physics
Added:
head/science/fleur/
head/science/fleur/Makefile (contents, props changed)
head/science/fleur/distinfo (contents, props changed)
head/science/fleur/pkg-descr (contents, props changed)
Modified:
head/science/Makefile
Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile Sun Sep 2 21:02:10 2018 (r478819)
+++ head/science/Makefile Sun Sep 2 21:10:29 2018 (r478820)
@@ -64,6 +64,7 @@
SUBDIR += fastcap
SUBDIR += fasthenry
SUBDIR += fisicalab
+ SUBDIR += fleur
SUBDIR += fsom
SUBDIR += fvcom
SUBDIR += fvcom-mpi
Added: head/science/fleur/Makefile
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/fleur/Makefile Sun Sep 2 21:10:29 2018 (r478820)
@@ -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 at 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>
Added: head/science/fleur/distinfo
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/fleur/distinfo Sun Sep 2 21:10:29 2018 (r478820)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1535917154
+SHA256 (fleurMaXR3.tgz) = 71dd93165ab9148cdab507084297becb6ad419e4c10be871c647e6e45caa185c
+SIZE (fleurMaXR3.tgz) = 10118106
Added: head/science/fleur/pkg-descr
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/fleur/pkg-descr Sun Sep 2 21:10:29 2018 (r478820)
@@ -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
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