marcindulak pushed to nwchem (epel7). "EACCSD, IPCCSD enabled"

notifications at fedoraproject.org notifications at fedoraproject.org
Tue Mar 31 06:07:31 UTC 2015


>From 2db12c7e15ce4f1c2af91e4756eea1b055c98122 Mon Sep 17 00:00:00 2001
From: marcindulak <Marcin.Dulak at gmail.com>
Date: Tue, 31 Mar 2015 08:04:40 +0200
Subject: EACCSD, IPCCSD enabled


diff --git a/nwchem.spec b/nwchem.spec
index eae1ecc..c3bae38 100644
--- a/nwchem.spec
+++ b/nwchem.spec
@@ -53,7 +53,7 @@ ExcludeArch: aarch64
 
 Name:			nwchem
 Version:		%{major_version}.%{minor_version}
-Release:		14%{?dist}
+Release:		15%{?dist}
 Summary:		Delivering High-Performance Computational Chemistry to Science
 
 License:		ECL 2.0
@@ -206,7 +206,9 @@ echo export USE_ARUR=TRUE >> settings.sh
 echo export USE_NOFSCHECK=TRUE >> settings.sh
 echo export NWCHEM_FSCHECK=N >> settings.sh
 echo export LARGE_FILES=TRUE >> settings.sh
-echo export MRCC_THEORY=TRUE >> settings.sh
+echo export MRCC_THEORY=Y >> settings.sh
+echo export EACCSD=Y >> settings.sh
+echo export IPCCSD=Y >> settings.sh
 echo export NWCHEM_LONG_PATHS=Y >> settings.sh
 #
 echo export PYTHONHOME=/usr  >> settings.sh
@@ -464,6 +466,9 @@ mv QA.orig QA
 
 
 %changelog
+* Mon Mar 30 2015 Marcin Dulak <Marcin.Dulak at gmail.com> - 6.5.26243-15
+- EACCSD, IPCCSD enabled
+
 * Mon Mar 2 2015 Marcin Dulak <Marcin.Dulak at gmail.com> - 6.5.26243-14
 - fix bug #1196616
 - allow SRPM build on noarch
-- 
cgit v0.10.2


	http://pkgs.fedoraproject.org/cgit/nwchem.git/commit/?h=epel7&id=2db12c7e15ce4f1c2af91e4756eea1b055c98122


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