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<title>[131693] trunk/dports/science</title>
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<dt>Revision</dt> <dd><a href="https://trac.macports.org/changeset/131693">131693</a></dd>
<dt>Author</dt> <dd>dstrubbe@macports.org</dd>
<dt>Date</dt> <dd>2015-01-15 11:17:59 -0800 (Thu, 15 Jan 2015)</dd>
</dl>
<h3>Log Message</h3>
<pre>ape: add new port. Fixes ticket #40580.</pre>
<h3>Added Paths</h3>
<ul>
<li>trunk/dports/science/ape/</li>
<li><a href="#trunkdportsscienceapePortfile">trunk/dports/science/ape/Portfile</a></li>
<li>trunk/dports/science/ape/files/</li>
<li><a href="#trunkdportsscienceapefilespatchsrcparser_symbolsF90diff">trunk/dports/science/ape/files/patch-src-parser_symbols.F90.diff</a></li>
</ul>
</div>
<div id="patch">
<h3>Diff</h3>
<a id="trunkdportsscienceapePortfile"></a>
<div class="addfile"><h4>Added: trunk/dports/science/ape/Portfile (0 => 131693)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/ape/Portfile (rev 0)
+++ trunk/dports/science/ape/Portfile 2015-01-15 19:17:59 UTC (rev 131693)
</span><span class="lines">@@ -0,0 +1,66 @@
</span><ins>+# -*- 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 compilers 1.0
+
+name ape
+version 2.2.0
+categories science
+platforms darwin
+license GPL-2+
+maintainers dstrubbe
+
+description A tool for generating atomic pseudopotentials within a Density-Functional Theory framework.
+long_description APE (Atomic Pseudopotentials Engine) is a computer package designed to generate \
+ and test norm-conserving pseudo-potentials within Density Functional Theory. \
+ The generated pseudo-potentials can be either non-relativistic, scalar \
+ relativistic or fully relativistic and can explicitly include \
+ semi-core states. A wide range of exchange-correlation functionals is included. \
+ APE can generate pseudopotential files for use with SIESTA, Abinit, Octopus, \
+ and Quantum Espresso.
+homepage http://www.tddft.org/programs/APE
+master_sites ${homepage}/sites/default/files
+
+checksums rmd160 4f6e5ed09f354cfec12420354abf4346a9993d3e \
+ sha256 6a64756cf53c89b99cb311f0ef2cd48ebc97474310bb99bac36f0f85a97d3d20
+
+depends_lib port:libxc port:gsl
+
+configure.args --with-libxc-prefix=${prefix}
+configure.optflags -O3
+
+# uses C too, could introduce variants for that too.
+compilers.choose fc
+compilers.setup require_fortran -g95
+
+# g95 is disabled because of constructs regarded as illegal by this compiler.
+# :info:build In file mesh_ape.f90:58
+# :info:build
+# :info:build integer, private :: type !mesh type
+# :info:build 1
+# :info:build Error: PRIVATE attribute at (1) is not allowed in a TYPE definition
+
+compilers.enforce_fortran libxc
+# libxc does not have universal variant, so APE cannot either
+universal_variant no
+
+# Note: numerous tests will probably fail.
+test.run yes
+test.target check
+
+# APE configure script does not set or check FCCPP automatically.
+pre-configure {
+# if {[variant_isset g95]} {
+# configure.args-append FCCPP="${configure.cc} -P -E -ansi"
+# } else {
+ configure.args-append FCCPP="${configure.cc} -E -ansi"
+# }
+}
+
+# make compatible with libxc 2.1.x
+patchfiles patch-src-parser_symbols.F90.diff
+
+livecheck.type regex
+livecheck.url ${homepage}
+livecheck.regex New version (\[0-9.\]+)</a>
</ins><span class="cx">Property changes on: trunk/dports/science/ape/Portfile
</span><span class="cx">___________________________________________________________________
</span></span></pre></div>
<a id="svnkeywords"></a>
<div class="addfile"><h4>Added: svn:keywords</h4></div>
<a id="svneolstyle"></a>
<div class="addfile"><h4>Added: svn:eol-style</h4></div>
<a id="trunkdportsscienceapefilespatchsrcparser_symbolsF90diff"></a>
<div class="addfile"><h4>Added: trunk/dports/science/ape/files/patch-src-parser_symbols.F90.diff (0 => 131693)</h4>
<pre class="diff"><span>
<span class="info">--- trunk/dports/science/ape/files/patch-src-parser_symbols.F90.diff (rev 0)
+++ trunk/dports/science/ape/files/patch-src-parser_symbols.F90.diff 2015-01-15 19:17:59 UTC (rev 131693)
</span><span class="lines">@@ -0,0 +1,13 @@
</span><ins>+--- src/parser_symbols.F90.orig 2015-01-15 13:21:31.000000000 -0500
++++ src/parser_symbols.F90 2015-01-15 13:19:05.000000000 -0500
+@@ -250,8 +250,8 @@
+ call oct_parse_putsym("gga_k_yt65", XC_GGA_K_YT65)
+ call oct_parse_putsym("gga_k_baltin", XC_GGA_K_BALTIN)
+ call oct_parse_putsym("gga_k_lieb", XC_GGA_K_LIEB)
++ call oct_parse_putsym("gga_k_absr1", XC_GGA_K_ABSP1)
++ call oct_parse_putsym("gga_k_absr2", XC_GGA_K_ABSP2)
+- call oct_parse_putsym("gga_k_absr1", XC_GGA_K_ABSR1)
+- call oct_parse_putsym("gga_k_absr2", XC_GGA_K_ABSR2)
+ call oct_parse_putsym("gga_k_gr", XC_GGA_K_GR)
+ call oct_parse_putsym("gga_k_ludena", XC_GGA_K_LUDENA)
+ call oct_parse_putsym("gga_k_gp85", XC_GGA_K_GP85)
</ins></span></pre>
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