Import libint-2.0.0 as math/libint

Libint is two things:
1. a library of C/C++ functions for efficient evaluation of
several kinds of two-body molecular integrals over Gaussian
functions;
2. the optimizing compiler that generates a Libint library.

In molecular electronic structure theory Gaussian basis sets are
standard because they allow efficient evaluation of matrix
elements of operators (molecular integrals). Modern electronic
structure programs spend considerable portion of their runtime
computing the Coulomb two-electron integrals. While anyone can
compute Gaussian integrals using simple formulas, the efficient
evaluation of many-body can be (relatively) complicated.
Libint is an open library that anyone can use to compute a
variety of two-electron integrals, most importantly the Coulomb
two-electron integrals and their arbitrary-order geometric
derivatives, over Gaussians of arbitrary angular momentum.
Among other notable features is the support for the nonstandard
two-electron integrals that appear in explicitly correlated R12
methods.

6 files changed, 107 insertions, 0 deletions

diff --git a/math/libint/DESCR b/math/libint/DESCR
new file mode 100644
index 00000000000..4920d9855db
--- /dev/null
+++ b/math/libint/DESCR
@@ -0,0 +1,20 @@
+Libint is two things:
+1. a library of C/C++ functions for efficient evaluation of
+several kinds of two-body molecular integrals over Gaussian
+functions;
+2. the optimizing compiler that generates a Libint library.
+
+In molecular electronic structure theory Gaussian basis sets are
+standard because they allow efficient evaluation of matrix
+elements of operators (molecular integrals). Modern electronic
+structure programs spend considerable portion of their runtime
+computing the Coulomb two-electron integrals. While anyone can
+compute Gaussian integrals using simple formulas, the efficient
+evaluation of many-body can be (relatively) complicated.
+Libint is an open library that anyone can use to compute a
+variety of two-electron integrals, most importantly the Coulomb
+two-electron integrals and their arbitrary-order geometric
+derivatives, over Gaussians of arbitrary angular momentum.
+Among other notable features is the support for the nonstandard
+two-electron integrals that appear in explicitly correlated R12
+methods.
diff --git a/math/libint/Makefile b/math/libint/Makefile
new file mode 100644
index 00000000000..0f97f162073
--- /dev/null
+++ b/math/libint/Makefile
@@ -0,0 +1,19 @@
+# $NetBSD: Makefile,v 1.1.1.1 2013/03/08 07:09:04 asau Exp $
+
+DISTNAME=	libint-2.0.0-stable
+PKGNAME=	libint-2.0.0
+CATEGORIES=	math
+MASTER_SITES=	${MASTER_SITE_SOURCEFORGE:=libint/}
+EXTRACT_SUFX=	.tgz
+
+MAINTAINER=	asau@inbox.ru
+HOMEPAGE=	http://sourceforge.net/p/libint/
+COMMENT=	Efficient computation of quantum mechanical matrix elements over Gaussian basis sets
+
+USE_LANGUAGES=	c c++
+GNU_CONFIGURE=	yes
+USE_TOOLS=	gmake
+USE_LIBTOOL=	yes
+BUILD_TARGET=	default
+
+.include "../../mk/bsd.pkg.mk"
diff --git a/math/libint/PLIST b/math/libint/PLIST
new file mode 100644
index 00000000000..ae24773a270
--- /dev/null
+++ b/math/libint/PLIST
@@ -0,0 +1,10 @@
+@comment $NetBSD: PLIST,v 1.1.1.1 2013/03/08 07:09:04 asau Exp $
+include/libint2/cgshell_ordering.h
+include/libint2/cgshellinfo.h
+include/libint2/libint2.h
+include/libint2/libint2_config.h
+include/libint2/libint2_iface.h
+include/libint2/libint2_intrinsic_types.h
+include/libint2/libint2_params.h
+include/libint2/libint2_types.h
+lib/libint2.a
diff --git a/math/libint/buildlink3.mk b/math/libint/buildlink3.mk
new file mode 100644
index 00000000000..d34f3afc298
--- /dev/null
+++ b/math/libint/buildlink3.mk
@@ -0,0 +1,15 @@
+# $NetBSD: buildlink3.mk,v 1.1.1.1 2013/03/08 07:09:04 asau Exp $
+
+# It only installs static library:
+BUILDLINK_DEPMETHOD.libint?=	build
+
+BUILDLINK_TREE+=	libint
+
+.if !defined(LIBINT_BUILDLINK3_MK)
+LIBINT_BUILDLINK3_MK:=
+
+BUILDLINK_API_DEPENDS.libint+=	libint>=2.0.0
+BUILDLINK_PKGSRCDIR.libint?=	../../math/libint
+.endif	# LIBINT_BUILDLINK3_MK
+
+BUILDLINK_TREE+=	-libint
diff --git a/math/libint/distinfo b/math/libint/distinfo
new file mode 100644
index 00000000000..34b09aeccfa
--- /dev/null
+++ b/math/libint/distinfo
@@ -0,0 +1,6 @@
+$NetBSD: distinfo,v 1.1.1.1 2013/03/08 07:09:04 asau Exp $
+
+SHA1 (libint-2.0.0-stable.tgz) = b658778f8c9d0be42e2663abb1e40a49d3f2dd30
+RMD160 (libint-2.0.0-stable.tgz) = 763bcd528d75a147b261cd4793e33ee648d11b69
+Size (libint-2.0.0-stable.tgz) = 7875292 bytes
+SHA1 (patch-MakeRules.in) = c83d8e36b46aabd82f6395a5e96e502871bf4e1a
diff --git a/math/libint/patches/patch-MakeRules.in b/math/libint/patches/patch-MakeRules.in
new file mode 100644
index 00000000000..e6bab4b001f
--- /dev/null
+++ b/math/libint/patches/patch-MakeRules.in
@@ -0,0 +1,37 @@
+$NetBSD: patch-MakeRules.in,v 1.1.1.1 2013/03/08 07:09:04 asau Exp $
+
+--- MakeRules.in.orig	2011-08-31 00:35:09.000000000 +0000
++++ MakeRules.in
+@@ -4,20 +4,20 @@ default:: $(TOPDIR)/lib/$(TARGET)
+ install:: install_inc install_target
+ 
+ install_inc:: $(TOPDIR)/lib/$(TARGET)
+-	$(INSTALL) $(INSTALLDIROPT) $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_intrinsic_types.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_iface.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_params.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_types.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_params.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/cgshellinfo.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/cgshell_ordering.h $(includedir)/$(NAME)$(VERSION)
+-	-$(INSTALL) $(INSTALLLIBOPT) $(TOPDIR)/include/libint2_config.h $(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLDIROPT) $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_intrinsic_types.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_iface.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_params.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_types.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/libint2_params.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/cgshellinfo.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(SRCTOPDIR)/include/cgshell_ordering.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
++	$(INSTALL) $(INSTALLLIBOPT) $(TOPDIR)/include/libint2_config.h $(DESTDIR)$(includedir)/$(NAME)$(VERSION)
+ 
+ install_target:: $(TOPDIR)/lib/$(TARGET)
+-	$(INSTALL) $(INSTALLDIROPT) $(libdir)
+-	$(LTINST) $(INSTALL) $(INSTALLLIBOPT) $< $(libdir)
++	$(INSTALL) $(INSTALLDIROPT) $(DESTDIR)$(libdir)
++	$(LTINST) $(INSTALL) $(INSTALLLIBOPT) $< $(DESTDIR)$(libdir)
+ 
+ clean:: oclean targetclean
+