marcindulak pushed to nwchem (master). "EACCSD, IPCCSD enabled"
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Tue Mar 31 06:05:04 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=master&id=2db12c7e15ce4f1c2af91e4756eea1b055c98122
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