[140342] trunk/dports/science

[raimue at macports.org]

Revision: 140342
          https://trac.macports.org/changeset/140342
Author:   raimue at macports.org
Date:     2015-09-18 01:20:39 -0700 (Fri, 18 Sep 2015)
Log Message:
-----------
science/horton:
New port, closes #48413

Added Paths:
-----------
    trunk/dports/science/horton/
    trunk/dports/science/horton/Portfile

Added: trunk/dports/science/horton/Portfile
===================================================================
--- trunk/dports/science/horton/Portfile	                        (rev 0)
+++ trunk/dports/science/horton/Portfile	2015-09-18 08:20:39 UTC (rev 140342)
@@ -0,0 +1,54 @@
+# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
+# $Id$
+
+PortSystem          1.0
+PortGroup           python 1.0
+PortGroup           github 1.0
+PortGroup           active_variants 1.1
+
+github.setup        theochem horton 2.0.0
+name                horton
+version             2.0.0
+platforms           darwin
+license             GPL-3+
+categories          science python
+maintainers         mcmaster.ca:yangx59 \
+                    openmaintainer
+
+description         HORTON is a quantum chemistry program written primarily in Python language.
+long_description    ${description} It can serve as a stand-alone program for electronic structure calculation (HF, DFT,\Geminals, PT)
+
+
+homepage            http://theochem.github.io/horton/
+checksums           rmd160  bb2536bb1af8f5335e523580b44bd1b5d95c0763 \
+                    sha256  7217637ebb36412a27fc09f08aba6e5859358fc670f440b8c3f959d45920c243
+
+python.default_version     27
+
+depends_lib         port:atlas \
+                    port:libint \
+                    port:py${python.default_version}-numpy \
+                    port:py${python.default_version}-h5py \
+                    port:py${python.default_version}-scipy \
+                    port:py${python.default_version}-cython \
+                    port:py${python.default_version}-nose \
+                    port:py${python.default_version}-sympy \
+                    port:py${python.default_version}-sphinx \
+                    port:py${python.default_version}-matplotlib \
+                    port:libxc
+
+pre-build {
+        system -W ${worksrcpath}/data/refatoms "make all"
+        copy ${worksrcpath}/data/setup_cfgs/setup.Darwin-macport-x86_64.cfg ${worksrcpath}/setup.cfg
+        reinplace "s|/opt/local|${prefix}|g" ${worksrcpath}/setup.cfg
+}
+
+post-destroot {
+    reinplace "s|${destroot}${prefix}|${prefix}|" ${destroot}${python.pkgd}/horton/data_dir.txt
+}
+
+pre-activate {
+    if {![active_variants py27-numpy atlas]} {
+        notes {In order to have CHOLESKY work properly, please install numpy +atlas manually with the following command: sudo port -n upgrade --enforce-variants py27-numpy +atlas}
+    }
+}


Property changes on: trunk/dports/science/horton/Portfile
___________________________________________________________________
Added: svn:keywords
   + Id
Added: svn:eol-style
   + native
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