[60531] trunk/dports/science

[adfernandes at macports.org]

Revision: 60531
          http://trac.macports.org/changeset/60531
Author:   adfernandes at macports.org
Date:     2009-11-14 12:59:08 -0800 (Sat, 14 Nov 2009)
Log Message:
-----------
Closes #22375; new port so that double- and single-precision gromacs can be co-installed

Added Paths:
-----------
    trunk/dports/science/gromacs-double/
    trunk/dports/science/gromacs-double/Portfile

Copied: trunk/dports/science/gromacs-double/Portfile (from rev 60159, trunk/dports/science/gromacs/Portfile)
===================================================================
--- trunk/dports/science/gromacs-double/Portfile	                        (rev 0)
+++ trunk/dports/science/gromacs-double/Portfile	2009-11-14 20:59:08 UTC (rev 60531)
@@ -0,0 +1,71 @@
+# $Id$
+
+# Important: keep in sync with the 'gromacs' port!
+
+PortSystem  1.0
+name		gromacs-double
+version		4.0.5
+revision	2
+categories	science math
+maintainers	adfernandes openmaintainer
+description	The World's fastest Molecular Dynamics package (double-precision)
+long_description	GROMACS is a versatile package to perform molecular \
+	dynamics, i.e. simulate the Newtonian equations of motion for \
+	systems with hundreds to millions of particles. It is primarily \
+	designed for biochemical molecules like proteins and lipids that \
+	have a lot of complicated bonded interactions, but since GROMACS is \
+	extremely fast at calculating the nonbonded interactions (that \
+	usually dominate simulations) many groups are also using it for \
+	research on non-biological systems, e.g. polymers (double-precision).
+platforms	darwin
+
+distname        gromacs-${version}
+homepage	    http://www.gromacs.org/
+master_sites	ftp://ftp.gromacs.org/pub/gromacs \
+                http://cluster.earlham.edu/detail/home/charliep/packages
+
+checksums       sha1 9969aae6f77e2216add22a7b29805c4de8df649f
+
+# Currently, no patchfiles are needed since the only patch is in
+# a data file for the dependent gromacs (single-precision) port.
+
+depends_lib 	port:fftw-3 port:libxml2 port:openmotif port:gromacs
+
+configure.args  --bindir=${prefix}/lib/${name}/bin --enable-shared --with-x --enable-double
+
+variant no_x11 {
+    depends_lib-delete      port:openmotif
+    configure.args-delete   --with-x
+    configure.args-append   --without-x
+}
+ 
+variant gsl description {enable extra analyses via the GNU scientific library} {
+    depends_lib-append      port:gsl
+    configure.args-append   --with-gsl
+}
+
+if { ![variant_isset gcc42] && ![variant_isset gcc43] && ![variant_isset gcc44] } {
+    default_variants-append     +gcc44
+}
+
+variant gcc42 conflicts gcc43 gcc44 description {build with macports-gcc-4.2} {
+    depends_lib         port:gcc42
+    configure.compiler  macports-gcc-4.2
+}
+
+variant gcc43 conflicts gcc42 gcc44 description {build with macports-gcc-4.3} {
+    depends_lib         port:gcc43
+    configure.compiler  macports-gcc-4.3
+}
+
+variant gcc44 conflicts gcc42 gcc43 description {build with macports-gcc-4.4} {
+    depends_lib         port:gcc44
+    configure.compiler  macports-gcc-4.4
+}
+
+post-destroot {
+    # All the required files are provided by the single-precision 'gromacs' port. Delete everything that's not required.
+    system "find \"${destroot}/${prefix}\" -depth 1 -not -name lib -print0 | xargs -0 rm -rf"
+    system "find \"${destroot}/${prefix}\" -type f -not -iname '*_d' -a -not -name '*_d.*' -print0 | xargs -0 rm -rf"
+    system "mv \"${destroot}/${prefix}/lib/gromacs-double\" \"${destroot}/${prefix}/lib/gromacs\""
+}
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