From 5ae5109cd76760a978fdfbe8fac7b4132b3d18fe Mon Sep 17 00:00:00 2001
From: Susi Lehtola <jussilehtola@fedoraproject.org>
Date: May 18 2017 04:26:50 +0000
Subject: Update to version 1.1.


---

diff --git a/.gitignore b/.gitignore
index e525f4a..6b53f59 100644
--- a/.gitignore
+++ b/.gitignore
@@ -6,3 +6,4 @@
 /psi4public-15fc63cdd5647247282a5e3f4c9a402f17fb9c24.tar.gz
 /psi4public-926879e243ce44dcc0ecfe7cda680a01383982fd.tar.gz
 /psi4public-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415.tar.gz
+/psi4-add49b95b6be2441c522f71bddb47f1371e16958.tar.gz
diff --git a/psi4.spec b/psi4.spec
index c53d7c1..1e34923 100644
--- a/psi4.spec
+++ b/psi4.spec
@@ -1,8 +1,8 @@
-# Run tests?
+# Run tests? ATLAS is not thread-safe so some fail as of 2017-05-16
 %bcond_with tests
 
 # git snapshot
-%global commit 2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415
+%global commit add49b95b6be2441c522f71bddb47f1371e16958
 %global shortcommit %(c=%{commit}; echo ${c:0:7})
 
 # Define a macro for calling ../configure instead of ./configure
@@ -10,18 +10,16 @@
 
 Name:           psi4
 Epoch:          1
-Version:        1.0
-Release:        3.%{shortcommit}git%{?dist}
+Version:        1.1
+Release:        1.%{shortcommit}git%{?dist}
 Summary:        An ab initio quantum chemistry package
 Group:          Applications/Engineering
 License:        GPLv2+ and MIT
 URL:            http://www.psicode.org/
-Source0:        https://github.com/psi4/psi4public/archive/%{commit}/psi4public-%{commit}.tar.gz
+Source0:        https://github.com/psi4/psi4/archive/%{commit}/psi4-%{commit}.tar.gz
 
 # Use system packages
-Patch0:         psi4-fedora.patch
-# Add missing include
-Patch1:         psi4-include.patch
+Patch0:         psi4-1.1-fedora.patch
 
 BuildRequires:  cmake
 BuildRequires:  bison-devel
@@ -42,7 +40,7 @@ BuildRequires:  pybind11-static
 # Not in Fedora yet
 #BuildRequires:  libefp-devel
 
-BuildRequires:  python3-devel >= 2.6
+BuildRequires:  python3-devel >= 2.7
 BuildRequires:  python3-numpy
 BuildRequires:  python3-sphinx >= 1.1
 
@@ -95,7 +93,6 @@ This package contains static libraries and development headers for psi.
 %prep
 %setup -q -n psi4-%{commit}
 %patch0 -p1 -b .fedora
-%patch1 -p1 -b .inc
 
 %build
 export F77=gfortran
@@ -104,9 +101,8 @@ export FC=gfortran
 mkdir objdir-%{_target_platform}
 cd objdir-%{_target_platform}
 %cmake .. \
-       -DENABLE_OMP=ON -DENABLE_MPI=OFF -DENABLE_XHOST=OFF \
-       -DEXPLICIT_BLAS_LIB='%{_libdir}/atlas/libtatlas.so' -DENABLE_AUTO_BLAS=OFF \
-       -DEXPLICIT_LAPACK_LIB='%{_libdir}/atlas/libtatlas.so' -DENABLE_AUTO_LAPACK=OFF \
+       -DENABLE_OPENMP=ON -DENABLE_MPI=OFF -DENABLE_XHOST=OFF \
+       -DLAPACK_LIBRARIES='%{_libdir}/atlas/libtatlas.so' -DENABLE_AUTO_LAPACK=OFF \
        -DCMAKE_Fortran_COMPILER=gfortran -DCMAKE_C_COMPILER=gcc -DCMAKE_CXX_COMPILER=g++ \
        -DCUSTOM_C_FLAGS='%{optflags} -std=c11 -DNDEBUG' -DCUSTOM_CXX_FLAGS='%{optflags} -std=c++11 -DNDEBUG' \
        -DCUSTOM_Fortran_FLAGS='-I%{_libdir}/gfortran/modules %{optflags} -DNDEBUG' \
@@ -134,22 +130,26 @@ ctest -L quicktests
 %endif
 
 %files
-%license LICENSE CITATION
+%license COPYING COPYING.LESSER
 %doc README.md
 %{_libdir}/psi4/
 %{_bindir}/psi4
 
 %files data
-%license LICENSE CITATION
+%license COPYING COPYING.LESSER
 %{_datadir}/psi4/
 
 %files devel
-%license LICENSE CITATION
+%license COPYING COPYING.LESSER
 %{_datadir}/cmake/psi4/
 %{_includedir}/psi4/
 %{_libdir}/psi4/
 
 %changelog
+* Wed May 17 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 1:1.1-1.add49b95git
+- Make sure binary is linked to right atlas library.
+- Update to version 1.1.
+
 * Mon May 15 2017 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1:1.0-3.2118f2fgit
 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_27_Mass_Rebuild
 
diff --git a/sources b/sources
index 5868c59..6da22a4 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-SHA512 (psi4public-2118f2f5b5ffbe66932b8a1f20f4553cd3ee9415.tar.gz) = 626673172fa82c250e7ab074dbe6958363151a615aac2a2f390fa06f4c5c4416455acea484134b50aeda67a2fd7693bc352c21d0375c0e9a990eda495d2aa65b
+SHA512 (psi4-add49b95b6be2441c522f71bddb47f1371e16958.tar.gz) = 1c7a7e805bf3be50f5bec67015a255eccf69fd2edf9e5691b5297c086e71603932fae2ac20c32712b3eb3575d006d901109f730b4d61ffe38abfc62512bfc73c