[Debichem-devel] Bug#852077: [src:libint2] What about packaging basisset definition files?

Katsuhiko Nishimra ktns.87 at gmail.com
Sun Jan 22 07:31:58 UTC 2017 

Sorry, there was an oversight in the previous patch.

I'm attaching a fixed patch.

Best regards,
Katsuhiko
-------------- next part --------------
diff -Nru libint2-2.3.0~beta3/debian/changelog libint2-2.3.0~beta3/debian/changelog
--- libint2-2.3.0~beta3/debian/changelog	2017-01-21 04:40:07.000000000 +0900
+++ libint2-2.3.0~beta3/debian/changelog	2017-01-22 02:50:14.000000000 +0900
@@ -1,3 +1,22 @@
+libint2 (2.3.0~beta3-2+basisset1) UNRELEASED; urgency=medium
+
+  * Non-maintainer upload.
+  * Fix debian/patches/no_convenience_copy.patch
+
+ -- Katsuhiko Nishimra <ktns.87 at gmail.com>  Sun, 22 Jan 2017 02:50:14 +0900
+
+libint2 (2.3.0~beta3-2+basisset0) UNRELEASED; urgency=medium
+
+  * Non-maintainer upload.
+  * Install basisset definition files via libint2-data package.
+  * Install document files from the upstream.
+  * Respect DEB_BUILD_OPTIONS=parallel.
+  * Avoid using convenience copy from boost.
+  * debian/watch: Scan the upstream github repository.
+  * Fix comma separated file list in the debian/copyright file.
+
+ -- Katsuhiko Nishimra <ktns.87 at gmail.com>  Sat, 21 Jan 2017 15:31:07 +0900
+
 libint2 (2.3.0~beta3-2) unstable; urgency=medium
 
   * Upload to unstable. 
diff -Nru libint2-2.3.0~beta3/debian/control libint2-2.3.0~beta3/debian/control
--- libint2-2.3.0~beta3/debian/control	2016-10-02 06:37:03.000000000 +0900
+++ libint2-2.3.0~beta3/debian/control	2017-01-21 18:30:11.000000000 +0900
@@ -14,6 +14,7 @@
 Section: libs
 Architecture: any
 Depends: ${shlibs:Depends}, ${misc:Depends}
+Recommends: libint2-data (=${binary:Version})
 Description: Computation Chemistry Integral Evaluation Library
  The LIBINT library is used to evaluate the traditional (electron repulsion)
  and certain novel two-body matrix elements (integrals) over Cartesian
@@ -34,7 +35,7 @@
 Package: libint2-dev
 Section: libdevel
 Architecture: any
-Depends: ${shlibs:Depends}, ${misc:Depends}, libint2-2 (= ${binary:Version})
+Depends: ${shlibs:Depends}, ${misc:Depends}, libint2-2 (= ${binary:Version}), libboost-dev
 Description: Computation Chemistry Integral Evaluation Library (development files)
  The Libint2 library is used to evaluate the traditional (electron 
  repulsion) and certain novel two-body matrix elements (integrals) over
@@ -51,3 +52,24 @@
  doubles (CCSD) method, as well as explicitly correlated R12 methods.
  .
  This package contains the static library and header files.
+
+Package: libint2-data
+Architecture: all
+Depends: ${misc:Depends}
+Recommends: libint2-2 (= ${binary:Version})
+Description: Computation Chemistry Integral Evaluation Library (data files)
+ The Libint2 library is used to evaluate the traditional (electron 
+ repulsion) and certain novel two-body matrix elements (integrals) over
+ Cartesian Gaussian functions used in modern atomic and molecular
+ theory.  The idea of the library is to let computer write optimized
+ code for computing such integrals. There are two primary advantages to
+ this: much less human effort is required to write code for computing
+ new integrals, and code can be optimized specifically for a particular
+ computer architecture (e.g., vector processor).
+ .
+ Libint2 has been utilized to implement methods such as Hartree-Fock
+ (HF) and Kohn-Sham density functional theory (KS DFT), second-order
+ Moeller-Plesset perturbation theory (MP2), coupled cluster singles and
+ doubles (CCSD) method, as well as explicitly correlated R12 methods.
+ .
+ This package contains basis set definition files.
diff -Nru libint2-2.3.0~beta3/debian/copyright libint2-2.3.0~beta3/debian/copyright
--- libint2-2.3.0~beta3/debian/copyright	2015-09-02 21:30:13.000000000 +0900
+++ libint2-2.3.0~beta3/debian/copyright	2017-01-21 19:04:14.000000000 +0900
@@ -10,7 +10,7 @@
 Copyright: Curtis Janssen
 License: GPL-2+
 
-Files: include/util_types.h, tests/*
+Files: include/util_types.h tests/*
 Copyright: 2004-2014 Edward F. Valeev
 License: GPL-2+
 
diff -Nru libint2-2.3.0~beta3/debian/libint2-2.docs libint2-2.3.0~beta3/debian/libint2-2.docs
--- libint2-2.3.0~beta3/debian/libint2-2.docs	1970-01-01 09:00:00.000000000 +0900
+++ libint2-2.3.0~beta3/debian/libint2-2.docs	2017-01-21 15:29:11.000000000 +0900
@@ -0,0 +1,2 @@
+CITATION
+README.md
diff -Nru libint2-2.3.0~beta3/debian/libint2-data.install libint2-2.3.0~beta3/debian/libint2-data.install
--- libint2-2.3.0~beta3/debian/libint2-data.install	1970-01-01 09:00:00.000000000 +0900
+++ libint2-2.3.0~beta3/debian/libint2-data.install	2017-01-21 15:29:11.000000000 +0900
@@ -0,0 +1 @@
+usr/share/libint/*/basis/*.g94
diff -Nru libint2-2.3.0~beta3/debian/libint2-data.lintian-overrides libint2-2.3.0~beta3/debian/libint2-data.lintian-overrides
--- libint2-2.3.0~beta3/debian/libint2-data.lintian-overrides	1970-01-01 09:00:00.000000000 +0900
+++ libint2-2.3.0~beta3/debian/libint2-data.lintian-overrides	2017-01-21 17:49:09.000000000 +0900
@@ -0,0 +1,2 @@
+libint2-data: file-name-contains-wildcard-character usr/share/libint/*/basis/*g*.g94
+libint2-data: file-name-contains-wildcard-character usr/share/libint/*/basis/*G*.g94
diff -Nru libint2-2.3.0~beta3/debian/libint2-dev.links libint2-2.3.0~beta3/debian/libint2-dev.links
--- libint2-2.3.0~beta3/debian/libint2-dev.links	1970-01-01 09:00:00.000000000 +0900
+++ libint2-2.3.0~beta3/debian/libint2-dev.links	2017-01-21 15:31:07.000000000 +0900
@@ -0,0 +1,2 @@
+usr/share/doc/libint2-2/CITATION usr/share/doc/libint2-dev/CITATION
+usr/share/doc/libint2-2/README.md usr/share/doc/libint2-dev/README.md
diff -Nru libint2-2.3.0~beta3/debian/patches/no_convenience_copy.patch libint2-2.3.0~beta3/debian/patches/no_convenience_copy.patch
--- libint2-2.3.0~beta3/debian/patches/no_convenience_copy.patch	1970-01-01 09:00:00.000000000 +0900
+++ libint2-2.3.0~beta3/debian/patches/no_convenience_copy.patch	2017-01-22 02:49:38.000000000 +0900
@@ -0,0 +1,88 @@
+--- a/export/MakeRules.export
++++ b/export/MakeRules.export
+@@ -16,7 +16,6 @@
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2/chemistry/*.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)/chemistry
+ 	$(INSTALL) $(INSTALLDIROPT) $(DESTDIR)$(includedir)/$(NAME)$(VERSION)/util
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2/util/*.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)/util
+-	gunzip -c $(SRCTOPDIR)/external/boost.tar.gz | tar -xf - -C $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
+ 
+ install_pkgconfig::
+ 	$(INSTALL) $(INSTALLDIROPT) $(DESTDIR)$(pkgconfigdir)
+--- a/export/Makefile
++++ b/export/Makefile
+@@ -94,6 +94,5 @@
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/doc/Libint_Logo3_alt.eps $(TOPDIR)/$(EXPORTDIR)/doc/Libint_Logo3_alt.eps
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCDIR)/Makefile.doc.export $(TOPDIR)/$(EXPORTDIR)/doc/Makefile.in
+ 	$(INSTALL) $(INSTALLDIROPT) $(TOPDIR)/$(EXPORTDIR)/external
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/external/boost.tar.gz $(TOPDIR)/$(EXPORTDIR)/external/boost.tar.gz
+ 	$(TOPOBJDIR)/config.status --config > $(TOPDIR)/$(EXPORTDIR)/compiler.config
+ 
+--- a/export/Makefile.tests.export
++++ b/export/Makefile.tests.export
+@@ -46,14 +46,6 @@
+ $(TEST3): $(TEST3).o
+ 	$(LTLINK) $(CXX) $(LDFLAGS) $(COMPUTE_LIB) $(SYSLIBS) -lpthread -o $@ $^
+ 
+-.PHONY: unpack_boost
+-
+-$(TEST2).o :: unpack_boost
+-$(TEST3).o :: unpack_boost
+-
+-unpack_boost::
+-	gunzip -c $(SRCDIR)/external/boost.tar.gz | tar -xf - -C $(TOPDIR)/include/libint2
+-
+ clean:: targetclean
+ 	-rm -f */*.o */*.d
+ 
+--- a/src/lib/MakeRules.in
++++ b/src/lib/MakeRules.in
+@@ -32,7 +32,6 @@
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/$(NAME)$(VERSION)/chemistry/*.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)/chemistry
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/$(NAME)$(VERSION)/util/*.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)/util
+ 	-$(INSTALL) $(INSTALLLIBOPT) $(SRCDIR)/*.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
+-	gunzip -c $(SRCTOPDIR)/external/boost.tar.gz | tar -xf - -C $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
+ 
+ install_target:: $(TOPDIR)/lib/$(TARGET)
+ 	$(INSTALL) $(INSTALLDIROPT) $(DESTDIR)$(libdir)
+--- a/tests/hartree-fock/Makefile
++++ b/tests/hartree-fock/Makefile
+@@ -66,24 +66,20 @@
+ 	-rm -rf $(TEST1) $(TEST2) *.o *.d
+ 
+ distclean:: realclean
+-	-rm -rf $(TOPDIR)/include/libint2/boost
+ 
+ realclean:: clean
+ 
+ targetclean:: clean
+ 
+-$(TOPDIR)/include/libint2/boost/preprocessor.hpp: $(SRCDIR)/$(TOPDIR)/external/boost.tar.gz
+-	gunzip -c $(SRCDIR)/$(TOPDIR)/external/boost.tar.gz | tar -xf - -C $(TOPDIR)/include/libint2
+-
+ depend:: $(CXXTEST1DEP) $(CXXTEST2DEP)
+ 
+ ifneq ($(CXXDEPENDSUF),none)
+-%.d:: %.cc $(TOPDIR)/include/libint2/boost/preprocessor.hpp
++%.d:: %.cc 
+ 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< > /dev/null
+ 	sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' < $(*F).$(CXXDEPENDSUF) > $(@F)
+ 	/bin/rm -f $(*F).$(CXXDEPENDSUF)
+ else
+-%.d:: %.cc $(TOPDIR)/include/libint2/boost/preprocessor.hpp
++%.d:: %.cc
+ 	$(CXXDEPEND) $(CXXDEPENDFLAGS) -c $(CPPFLAGS) $(CXXFLAGS) $< | sed 's/^$*.o/$*.$(OBJSUF) $*.d/g' > $(@F)
+ endif
+ 
+--- a/include/libint2/engine.impl.h
++++ b/include/libint2/engine.impl.h
+@@ -27,8 +27,8 @@
+ #pragma GCC diagnostic pop
+ 
+ #include <libint2/boys.h>
+-#include <libint2/boost/preprocessor.hpp>
+-#include <libint2/boost/preprocessor/facilities/is_1.hpp>
++#include <boost/preprocessor.hpp>
++#include <boost/preprocessor/facilities/is_1.hpp>
+ 
+ // extra PP macros
+ 
diff -Nru libint2-2.3.0~beta3/debian/patches/series libint2-2.3.0~beta3/debian/patches/series
--- libint2-2.3.0~beta3/debian/patches/series	2017-01-20 03:18:16.000000000 +0900
+++ libint2-2.3.0~beta3/debian/patches/series	2017-01-21 15:29:11.000000000 +0900
@@ -0,0 +1 @@
+no_convenience_copy.patch
diff -Nru libint2-2.3.0~beta3/debian/rules libint2-2.3.0~beta3/debian/rules
--- libint2-2.3.0~beta3/debian/rules	2016-10-02 15:26:53.000000000 +0900
+++ libint2-2.3.0~beta3/debian/rules	2017-01-21 15:29:11.000000000 +0900
@@ -4,7 +4,7 @@
 #export LD_LIBRARY_PATH=$(CURDIR)/lib/.libs 
 
 %:
-	dh $@
+	dh $@ --parallel
 
 override_dh_auto_configure:
 	./autogen.sh
diff -Nru libint2-2.3.0~beta3/debian/watch libint2-2.3.0~beta3/debian/watch
--- libint2-2.3.0~beta3/debian/watch	2015-09-02 21:30:13.000000000 +0900
+++ libint2-2.3.0~beta3/debian/watch	2017-01-21 18:56:25.000000000 +0900
@@ -1,2 +1,4 @@
 version=3
-http://sf.net/libint/libint-([\d.]+)-stable\.tgz
+opts=filenamemangle=s/.+\/v2?(\d\S+)\.tar\.gz/libint2-$1\.tar\.gz/,\
+uversionmangle=s/(\d)-(RC|rc|pre|dev|beta|alpha)\.(\d*)$/$1~$2$3/ \
+  https://github.com/evaleev/libint/tags .*/v2?(\d\S+)\.tar\.gz

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