[cp2k] add upstream reference data for evaluating tests

[Thomas Spura]

commit d6b8f235e128523a4f3290799707a3e88e176049
Author: Thomas Spura <thomas.spura at gmail.com>
Date:   Wed May 14 12:14:48 2014 +0200

    add upstream reference data for evaluating tests

 .gitignore     |    1 +
 cp2k-rpm.patch |   18 ++++++++++++++----
 cp2k.spec      |    9 ++++++++-
 sources        |    2 +-
 4 files changed, 24 insertions(+), 6 deletions(-)
---
diff --git a/.gitignore b/.gitignore
index 46f5398..dc8b690 100644
--- a/.gitignore
+++ b/.gitignore
@@ -7,3 +7,4 @@
 /cp2k-2.5-20131112.tar.xz
 /cp2k-2.5.0.tar.bz2
 /cp2k-2.5.1.tar.bz2
+/cp2k-2_5-branch_LAST-Linux-x86-64-gfortran-popt.tar.bz2
diff --git a/cp2k-rpm.patch b/cp2k-rpm.patch
index 2a1750e..dcd1428 100644
--- a/cp2k-rpm.patch
+++ b/cp2k-rpm.patch
@@ -219,10 +219,20 @@ diff -up cp2k-2.5.0/makefiles/Makefile.r cp2k-2.5.0/makefiles/Makefile
  
  #
  # the rule how to generate the .o from the .F
-diff -up cp2k-2.5.0/tools/regtesting/do_regtest.r cp2k-2.5.0/tools/regtesting/do_regtest
---- cp2k-2.5.0/tools/regtesting/do_regtest.r	2014-01-16 15:35:28.000000000 +0100
-+++ cp2k-2.5.0/tools/regtesting/do_regtest	2014-03-11 06:36:05.705353668 +0100
-@@ -688,6 +688,7 @@ for dir in ${dirs}; do
+--- cp2k-2.5.0/tools/regtesting/do_regtest	2014-01-16 15:35:28.000000000 +0100
++++ cp2k-2.5.0/tools/regtesting/do_regtest	2014-05-13 11:00:52.984100148 +0200
+@@ -240,8 +240,8 @@
+ #
+ ###################################################################################
+ test_types_file=${dir_base}/${cp2k_dir}/tests/TEST_TYPES
+-dir_last=${dir_base}/LAST-${dir_triplet}-${cp2k_version}
+-dir_out=${dir_base}/TEST-${dir_triplet}-${cp2k_version}-${datum_short}
++dir_last=${dir_base}/${cp2k_dir}/LAST-${dir_triplet}-${cp2k_version}
++dir_out=${dir_base}/${cp2k_dir}/TEST-${dir_triplet}-${cp2k_version}-${datum_short}
+ changelog=${dir_last}/ChangeLog
+ changelog_diff=${changelog}.diff
+ changelog_new=${changelog}.new
+@@ -688,6 +688,7 @@
       # if value does not exist set to the default of 1.0E-14
       test_tolerance=`grep -v "#" TEST_FILES | ${awk} -v itest=$itest -v def_err_tol=$default_err_tolerance '{c=c+1;if (c==itest) if (NF == 3) { print $3 } else { print def_err_tol } }'`
  
diff --git a/cp2k.spec b/cp2k.spec
index e90a6f3..b7c0ed4 100644
--- a/cp2k.spec
+++ b/cp2k.spec
@@ -3,7 +3,7 @@
 
 Name: cp2k
 Version: 2.5.1
-Release: 2%{?dist}
+Release: 3%{?dist}
 Group: Applications/Engineering
 Summary: Ab Initio Molecular Dynamics
 License: GPLv2+
@@ -14,6 +14,7 @@ Source0: cp2k-%{version}-%{snapshot}.tar.xz
 %else
 Source0: http://downloads.sourceforge.net/project/cp2k/cp2k-%{version}.tar.bz2
 %endif
+Source1: http://downloads.sourceforge.net/project/cp2k/cp2k-2_5-branch_LAST-Linux-x86-64-gfortran-popt.tar.bz2
 Source4: cp2k-snapshot.sh
 # patch to:
 # use rpm optflags
@@ -137,6 +138,9 @@ for f in arch/Linux-x86-64-gfortran.{popt,psmp,sopt,ssmp}; do
  sed -i "s|@LIBINT_MAX_AM@|$maxam|g;s|@LIBDERIV_MAX_AM@|$maxderiv|g" $f
 done
 
+tar -xf %{SOURCE1}
+ln -s LAST-Linux-x86-64-gfortran-popt LAST-${TARGET}-sopt
+
 
 %build
 TARGET=$(tools/get_arch_code)
@@ -209,6 +213,9 @@ popd
 %{_libdir}/mpich%{?_opt_cc_suffix}/bin/cp2k.psmp_mpich
 
 %changelog
+* Tue May 13 2014 Thomas Spura <tomspur at fedoraproject.org> - 2.5.1-3
+- add upstream reference data for evaluating tests
+
 * Mon May 12 2014 Tom Callaway <spot at fedoraproject.org> - 2.5.1-2
 - compile against new blacs in rawhide
 
diff --git a/sources b/sources
index 915b7f8..6bf1d90 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-927564583f3e0fe9edb4114fdef5a396  cp2k-2.5.1.tar.bz2
+dcb571dcf0f35c4ec30cd4b1fa226b71  cp2k-2_5-branch_LAST-Linux-x86-64-gfortran-popt.tar.bz2