[nwchem] BLAS_SIZE=4, see http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id1133/Nwchem-src-2014-01-28

[Marcin Dulak]

commit f26f849274fa5228112efeb9f96c19d8041323ec
Author: marcindulak <Marcin.Dulak at gmail.com>
Date:   Fri Feb 7 14:52:47 2014 +0100

    BLAS_SIZE=4, see http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id1133/Nwchem-src-2014-01-28_broken_on_....html

 nwchem.spec |    7 +++++++
 1 files changed, 7 insertions(+), 0 deletions(-)
---
diff --git a/nwchem.spec b/nwchem.spec
index 0941c82..136c3ff 100644
--- a/nwchem.spec
+++ b/nwchem.spec
@@ -35,8 +35,13 @@ ExcludeArch: %arm
 
 %if 0%{?fedora} >= 21
 %global BLASOPT -L%{_libdir}/atlas -lsatlas
+# from http://www.nwchem-sw.org forum:
+# BLAS_SIZE=4 is needed when the Blas library you are using have
+# 32-bit integer arguments (de facto default)
+%global BLAS_SIZE 4
 %else
 %global BLASOPT -L%{_libdir}/atlas -lf77blas -lcblas -latlas
+%global BLAS_SIZE 4
 %endif
 
 Name:			nwchem
@@ -167,6 +172,7 @@ echo export USE_PYTHON64=y >> settings.sh
 %endif
 echo export HAS_BLAS=yes  >> settings.sh
 echo export BLASOPT="'%{BLASOPT}'"  >> settings.sh
+echo export BLAS_SIZE="'%{BLAS_SIZE}'"  >> settings.sh
 echo export MAKE='%{__make}' >> settings.sh
 echo '$MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config.log' > make.sh
 %if 0%{?make64_to_32}
@@ -438,6 +444,7 @@ mv QA.orig QA
 - %%config(noreplace) %%{_sysconfdir}/profile.d/* + more explicit glob
 - shorten %%description and %%summary
 - use serial atlas (-lsatlas)
+- export BLAS_SIZE=4
 - fdupes removed: runs twice (for i686 and x86_64) and exchanges links on
   these two platforms, giving: BuildError: mismatch when analyzing ...