[PyQuante] Update to newest svn snapshot. Compile against libint. Run tests.

Jussi Lehtola jussilehtola at fedoraproject.org
Wed Nov 3 19:17:44 UTC 2010


commit de25f4b345053095fdf77882596a59488d510d00
Author: Jussi Lehtola <jussilehtola at fedoraproject.org>
Date:   Wed Nov 3 21:17:38 2010 +0200

    Update to newest svn snapshot. Compile against libint. Run tests.

 .gitignore            |    1 +
 PyQuante-libint.patch |   31 +++++++++++++++++++++++++++++++
 sources               |    2 +-
 3 files changed, 33 insertions(+), 1 deletions(-)
---
diff --git a/.gitignore b/.gitignore
index f7999a7..436a7f5 100644
--- a/.gitignore
+++ b/.gitignore
@@ -1 +1,2 @@
 PyQuante-1.6.3.tar.gz
+/PyQuante-174svn.tar.bz2
diff --git a/PyQuante-libint.patch b/PyQuante-libint.patch
new file mode 100644
index 0000000..24f4dad
--- /dev/null
+++ b/PyQuante-libint.patch
@@ -0,0 +1,31 @@
+diff -up pyquante/setup.py.sharedlib pyquante/setup.py
+--- pyquante/setup.py.sharedlib	2010-11-03 20:41:09.000000000 +0200
++++ pyquante/setup.py	2010-11-03 20:53:02.178918470 +0200
+@@ -82,16 +82,7 @@ else:
+ 
+ if enable_libint:
+     # Libint Extension compilation stuff
+-    libint_static = [] # Libint object files
+-    for part in ["libint","libderiv","libr12"]:
+-        libint_static += glob.glob("libint-1.1.4/src/lib/%s/tmp/%s/.libs/*.o"%(part,part))
+-        
+-    # Error checking
+-    if libint_static == []:
+-        raise Exception("Object files not found, have you compiled libint with configure --enable-shared ?")
+-    
+-    # Preparing the extension
+-    libint_includes = ["libint-1.1.4/include/libint"] # Libint include dir
++    libint_includes = ["/usr/include/libint"] # Libint include dir
+     
+     lib_clibint =["Src/lib/clibint.c"] + lib_shell      # Thin libint wrapper (actually one function, shell_compute)
+     clibint_ext_src = ["Src/PyQuante/clibint.c"] + lib_clibint # Need to add libint_static when linking
+@@ -99,8 +90,7 @@ if enable_libint:
+     clibint_ext = Extension("PyQuante.clibint",
+                             clibint_ext_src,
+                             include_dirs = lib_includes + libint_includes ,
+-                            libraries = ["stdc++"],
+-                            extra_objects = libint_static)
++                            libraries = ["stdc++","int"])
+     ext_modules.append(clibint_ext)
+ 
+ 
diff --git a/sources b/sources
index ce1db03..30524cf 100644
--- a/sources
+++ b/sources
@@ -1 +1 @@
-5e44d1e67a4f62da69ade7e26e53ab7b  PyQuante-1.6.3.tar.gz
+1f1083a8c2c40fb865a1cc344a3d193f  PyQuante-174svn.tar.bz2


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