[ape] Update to 2.0.2, build against libxc 2.0.0.

[Susi Lehtola]

commit c25eb5f5c73a31bfdca680965ed652c99cf71d65
Author: Jussi Lehtola <jussilehtola at fedoraproject.org>
Date:   Mon Dec 10 13:43:31 2012 +0200

    Update to 2.0.2, build against libxc 2.0.0.

 .gitignore             |    1 +
 ape-2.0.2-libxc2.patch |   42 ++++++++++++++++++++++++++++++++++++++++++
 ape.spec               |   12 ++++++++++--
 sources                |    2 +-
 4 files changed, 54 insertions(+), 3 deletions(-)
---
diff --git a/.gitignore b/.gitignore
index 26e68be..7682451 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1,2 +1,3 @@
 /ape-1.1.0.tar.gz
 /ape-2.0.0.tar.gz
+/ape-2.0.2.tar.gz
diff --git a/ape-2.0.2-libxc2.patch b/ape-2.0.2-libxc2.patch
new file mode 100644
index 0000000..2250dfa
--- /dev/null
+++ b/ape-2.0.2-libxc2.patch
@@ -0,0 +1,42 @@
+diff -up ape-2.0.2/src/functionals.F90.orig ape-2.0.2/src/functionals.F90
+--- ape-2.0.2/src/functionals.F90.orig	2012-10-12 11:26:54.000000000 +0300
++++ ape-2.0.2/src/functionals.F90	2012-12-10 13:41:50.559850761 +0200
+@@ -412,7 +412,7 @@ contains
+         end if
+       end if
+       if (functl%family == XC_FAMILY_MGGA) then
+-        ltau(1:nspin) = tau(i, 1:nspin)
++        ltau(1:nspin) = tau(i, 1:nspin)/M_TWO
+         lld(1:nspin) = rho_lapl(i, 1:nspin)
+       end if
+ 
+@@ -455,7 +455,7 @@ contains
+       end if
+       if(functl%family == XC_FAMILY_MGGA) then
+         dedld(i, 1:nspin) = dedld(i, 1:nspin) + ldedld(1:nspin)
+-        vtau(i, 1:nspin) = vtau(i, 1:nspin) + dedtau(1:nspin)
++        vtau(i, 1:nspin) = vtau(i, 1:nspin) + dedtau(1:nspin)/M_TWO
+       else
+         vtau(i, 1:nspin) = M_ZERO
+       end if
+@@ -595,7 +595,7 @@ contains
+           call xc_f90_gga_exc(functl%conf, 1, d(1), sigma(1), ltau(1))
+         end select
+ 
+-        tau(i, is) = ltau(1)*d(is)
++        tau(i, is) = ltau(1)*d(is)*M_TWO
+       end do
+     end do
+ 
+diff -up ape-2.0.2/src/parser_symbols.F90.orig ape-2.0.2/src/parser_symbols.F90
+--- ape-2.0.2/src/parser_symbols.F90.orig	2012-10-12 11:26:54.000000000 +0300
++++ ape-2.0.2/src/parser_symbols.F90	2012-12-10 13:40:42.520765699 +0200
+@@ -218,7 +218,7 @@ contains
+     ! metaGGAs
+     call oct_parse_putsym("mgga_x_lta",      XC_MGGA_X_LTA)
+     call oct_parse_putsym("mgga_x_tpss",     XC_MGGA_X_TPSS)
+-    call oct_parse_putsym("mgga_x_m06l",     XC_MGGA_X_M06L)
++    call oct_parse_putsym("mgga_x_m06l",     XC_MGGA_X_M06_L)
+     call oct_parse_putsym("mgga_x_gvt4",     XC_MGGA_X_GVT4)
+     call oct_parse_putsym("mgga_x_tau_hcth", XC_MGGA_X_TAU_HCTH)
+     call oct_parse_putsym("mgga_x_br89",     XC_MGGA_X_BR89)
diff --git a/ape.spec b/ape.spec
index 0b4d43c..6e4b641 100644
--- a/ape.spec
+++ b/ape.spec
@@ -1,6 +1,6 @@
 Name:		ape
-Version:	2.0.0
-Release:	2%{?dist}
+Version:	2.0.2
+Release:	1%{?dist}
 Summary:	A tool for generating atomic pseudopotentials within a DFT framework
 Group:		Applications/Engineering
 License:	GPLv2+
@@ -8,6 +8,9 @@ URL:		http://www.tddft.org/programs/APE
 Source0:	http://www.tddft.org/programs/APE/sites/default/files/ape-%{version}.tar.gz
 BuildRoot:	%(mktemp -ud %{_tmppath}/%{name}-%{version}-%{release}-XXXXXX)
 
+# Build against libxc 2.0.0
+Patch0:		ape-2.0.2-libxc2.patch
+
 BuildRequires:	gcc-gfortran
 BuildRequires:	gsl-devel
 BuildRequires:	libxc-devel
@@ -21,6 +24,7 @@ pseudopotentials within a Density-Functional Theory framework.
 
 %prep
 %setup -q
+%patch0 -p1
 
 %build
 # The APE configure script uses FCFLAGS instead of FFLAGS declared by the configure macro.
@@ -69,6 +73,10 @@ fi
 %{_infodir}/ape.info.*
 
 %changelog
+* Mon Dec 10 2012 Susi Lehtola <jussilehtola at fedoraproject.org> - 2.0.2-1
+- Update to 2.0.2.
+- Build against libxc 2.0.0.
+
 * Wed Jul 18 2012 Fedora Release Engineering <rel-eng at lists.fedoraproject.org> - 2.0.0-2
 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild
 
diff --git a/sources b/sources
index 3350295..21561b6 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-8a19960b75252298c97720b085515b92  ape-2.0.0.tar.gz
+cfc662ed4e92c21e959469d72fb754f5  ape-2.0.2.tar.gz