* Update to 3.3.0.

* Build fix with
NOPORTDOCS=yes,  NOPORTEXAMPLES=yes, NOPORTDATA=yes, FORCE_PACKAGE=yes [1].

Spotted by: itetcu [1]

4 files changed, 420 insertions, 231 deletions

diff --git a/science/psi3/Makefile b/science/psi3/Makefile
index 52bd0db51755..6f3d55fa6cab 100644
--- a/science/psi3/Makefile
+++ b/science/psi3/Makefile
@@ -6,10 +6,10 @@
 #
 
 PORTNAME=	psi3
-PORTVERSION=	3.2.3
-PORTREVISION=	3
+PORTVERSION=	3.3.0
 CATEGORIES=	science
-MASTER_SITES=	${MASTER_SITE_SOURCEFORGE}
+MASTER_SITES=	${MASTER_SITE_SOURCEFORGE} \
+		http://www.psicode.org/doc/:doc
 MASTER_SITE_SUBDIR=     psicode
 DISTNAME=	psi-${PORTVERSION}
 .if !defined(NOPORTDOCS)
@@ -21,28 +21,35 @@ EXTRACT_ONLY=	${DISTNAME}${EXTRACT_SUFX}
 MAINTAINER=	maho@FreeBSD.org
 COMMENT=	An electronic structure programs for high-accuracy computations
 
-.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
-WITH_ATLAS=	yes
+USE_BLAS?=	reference
+
+.if exists(${LOCALBASE}/lib/libgoto.so)
+USE_BLAS=     gotoblas
+.elif exists(${LOCALBASE}/lib/libatlas_r.so)
+USE_BLAS=     atlas
 .endif
-.if defined(WITH_ATLAS)
-LIB_DEPENDS+=	atlas.2:${PORTSDIR}/math/atlas
-BLAS=		-lf77blas -latlas
-LAPACK=		-lalapack
-.else
+
+. if ${USE_BLAS} == reference
 LIB_DEPENDS+=	blas.2:${PORTSDIR}/math/blas
 LIB_DEPENDS+=	lapack.4:${PORTSDIR}/math/lapack
 BLAS=		-lblas
 LAPACK=		-llapack
+.elif ${USE_BLAS} == gotoblas
+LIB_DEPENDS+=	goto:${PORTSDIR}/math/gotoblas
+LIB_DEPENDS+=	lapack.4:${PORTSDIR}/math/lapack
+BLAS=		-lgotop
+LAPACK=		-lgotop -llapack
+.elif ${USE_BLAS} == atlas
+LIB_DEPENDS+=   atlas:${PORTSDIR}/math/atlas
+BLAS=		-lptf77blas -lptcblas -latlas_r
+LAPACK=		-lalapack_r
 .endif
 
 USE_BZIP2=	yes
 GNU_CONFIGURE=	yes
 USE_GMAKE=	yes
 USE_AUTOTOOLS=	autoconf:261
-WANT_FORTRAN=yes #dummy but future use
-BUILD_DEPENDS+= gfortran42:${PORTSDIR}/lang/gcc42
-FC=		gfortran42
-F77=		gfortran42
+USE_FORTRAN=	yes
 CONFIGURE_ARGS=	--with-cc=${CC} \
 		--with-cxx=${CXX} \
 		--with-fc=${FC} \
@@ -67,15 +74,11 @@ CXXFLAGS+=	-mfancy-math-387
 
 WRKSRC=	${WRKDIR}/${PORTNAME}
 MAN1=	ccenergy.1 cceom.1 cints.1 clag.1 cscf.1 dboc.1 detcas.1 \
-	detcasman.1 detci.1 geom.1 input.1 mocube.1 mp2.1 mp2r12.1 \
+	detcasman.1 detci.1 geom.1 input.1 intder.1 mocube.1 mp2.1 mp2r12.1 \
 	oeprop.1 optking.1 psi3.1 psiclean.1 stable.1 tocprint.1 transqt.1
 pre-configure:
 	@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
-	@${REINPLACE_CMD} -e 's|%%TMPDOC%%|${WRKSRC}/tmpdoc|g ; \
-			      s|%%PTHREAD_LIBS%%|${PTHREAD_LIBS}|g ; \
-			      s|%%FFLAGS%%|${FFLAGS}|g ; \
-			      s|%%CFLAGS%%|${CFLAGS}|g ; \
-			      s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/configure.in
+	@${REINPLACE_CMD} -e 's|%%TMPDOC%%|${WRKSRC}/tmpdoc|g ' ${WRKSRC}/configure.ac
 	@${REINPLACE_CMD} -e 's|%%PTHREAD_CFLAGS%%|${PTREAD_CFLAGS}|g ; \
 			      s|%%PTHREAD_LIBS%%|${PTHREAD_LIBS}|g'  ${WRKSRC}/src/bin/cints/Makefile.in
 	@${REINPLACE_CMD} -e 's|%%PTHREAD_CFLAGS%%|${PTREAD_CFLAGS}|g ; \
@@ -88,9 +91,9 @@ do-build:
 
 do-install:
 	@(cd ${WRKSRC} ; ${SETENV} ${MAKE_ENV} ${GMAKE} install)
+	@${TAR} cf - -C ${WRKSRC}/tmpdoc/man .  | ${TAR} xf - -C ${PREFIX}/man
 .if !defined(NOPORTDOCS)
 	@${MKDIR} ${PREFIX}/share/doc/psi3
-	@${TAR} cf - -C ${WRKSRC}/tmpdoc/man .  | ${TAR} xf - -C ${PREFIX}/man
 	@${TAR} cf - -C ${WRKSRC}/tmpdoc/html . | ${TAR} xf - -C ${PREFIX}/share/doc/psi3
 	@${TAR} cf - -C ${WRKSRC}/tmpdoc/txt  . | ${TAR} xf - -C ${PREFIX}/share/doc/psi3
 	@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/installation.pdf ${DOCSDIR}
diff --git a/science/psi3/distinfo b/science/psi3/distinfo
index fada30206351..3c9c38b09f41 100644
--- a/science/psi3/distinfo
+++ b/science/psi3/distinfo
@@ -1,12 +1,12 @@
-MD5 (psi3/psi-3.2.3.tar.bz2) = ccc3c88360a72b6edf5e30c713ee7668
-SHA256 (psi3/psi-3.2.3.tar.bz2) = 539ce8ccb21cfe7c20884885b0d42051aecabaa51144de137905bc66d0928c6a
-SIZE (psi3/psi-3.2.3.tar.bz2) = 2088918
-MD5 (psi3/installation.pdf) = 8e2609915a1a4abc40f890b209ab281b
-SHA256 (psi3/installation.pdf) = 1ddaf4e70559010d77ba53d4947b759ea5e761ad89591d71f4ca8564e2075a18
-SIZE (psi3/installation.pdf) = 66683
-MD5 (psi3/userman.pdf) = 1bff3c622550e228024046b2d9d100a6
-SHA256 (psi3/userman.pdf) = 1dd4cedfbf607798344b7d6a066d17a962fe2c9c3438fc7920f52f087df3ba96
-SIZE (psi3/userman.pdf) = 233311
-MD5 (psi3/progman.pdf) = a4115d34c73c02d8c99ea0de4749f3e8
-SHA256 (psi3/progman.pdf) = 1801db3c145cb5c8bca5b034df6f7436fb7cc970d64dd81166c8bc7d6067ec4f
-SIZE (psi3/progman.pdf) = 281565
+MD5 (psi3/psi-3.3.0.tar.bz2) = 7d55d33cbf418e5de190bb13203866ce
+SHA256 (psi3/psi-3.3.0.tar.bz2) = be1b1d1cc74b4052b420e78d539345ba34d35de1789bd99e5798da37ff4790eb
+SIZE (psi3/psi-3.3.0.tar.bz2) = 3067319
+MD5 (psi3/installation.pdf) = a6a36fb952dc75eeb626687ad89bb518
+SHA256 (psi3/installation.pdf) = e56e62f9d72a49fd2013f098008b7f8a8fb595d9707f95f9ca68c0cb35e25e0a
+SIZE (psi3/installation.pdf) = 73381
+MD5 (psi3/userman.pdf) = 08f4bf439a7531c2d7f4e27816446987
+SHA256 (psi3/userman.pdf) = 11141488ce3908f1710a8f5f32498d19cbd8fca38067ac30d30cd28a43b33eb4
+SIZE (psi3/userman.pdf) = 274734
+MD5 (psi3/progman.pdf) = 487ada6244287cd02af4ce265d6e6cc7
+SHA256 (psi3/progman.pdf) = 5f328c074915e042a37abc78d76dc0cf5cb265bc0a99e13d5459122dd232be1f
+SIZE (psi3/progman.pdf) = 372371
diff --git a/science/psi3/files/patch-configure.in b/science/psi3/files/patch-configure.in
deleted file mode 100644
index fd90091699d9..000000000000
--- a/science/psi3/files/patch-configure.in
+++ /dev/null
@@ -1,23 +0,0 @@
---- configure.in.orig	Thu Jan  1 05:22:57 2004
-+++ configure.in	Fri Mar 19 17:15:40 2004
-@@ -25,7 +25,7 @@
- AC_PREFIX_DEFAULT(/usr/local/psi)
- 
- incdir=$includedir
--docdir='$(prefix)/doc'
-+docdir='%%TMPDOC%%'
- mandir='$(docdir)/man'
- txtdir='$(docdir)/txt'
- htmldir='$(docdir)/html'
-@@ -506,6 +506,11 @@
-     fi
-     ;;
- esac
-+# from ports
-+FOPT="%%FFLAGS%%"
-+COPT="%%CFLAGS%%"
-+CXXOPT="%%CXXFLAGS%%"
-+
- AC_MSG_RESULT([C optimization flags: $COPT])
- AC_MSG_RESULT([C++ optimization flags: $CXXOPT])
- 
diff --git a/science/psi3/pkg-plist b/science/psi3/pkg-plist
index 95a60ccd9758..6f881ce583fc 100644
--- a/science/psi3/pkg-plist
+++ b/science/psi3/pkg-plist
@@ -1,7 +1,6 @@
 bin/ccdensity
 bin/ccenergy
 bin/cceom
-bin/cceom-d
 bin/cchbar
 bin/cclambda
 bin/ccresponse
@@ -19,6 +18,7 @@ bin/detci
 bin/extrema
 bin/geom
 bin/input
+bin/intder
 bin/localize
 bin/mocube
 bin/mp2
@@ -32,6 +32,7 @@ bin/response
 bin/stable
 bin/tocprint
 bin/transqt
+bin/transqt2
 include/ccfiles.h
 include/chkpt_params.h
 include/libbasis/basisset.h
@@ -64,7 +65,6 @@ include/libipv1/scan.gbl
 include/libipv1/tmpl.h
 include/libipv1/y.tab.gbl
 include/libiwl/iwl.h
-include/libpsio/psio.gbl
 include/libpsio/psio.h
 include/libqt/qt.h
 include/libr12/libr12.h
@@ -86,429 +86,604 @@ lib/libPSI_iwl.a
 lib/libPSI_psio.a
 lib/libPSI_qt.a
 lib/libPSI_r12.a
-@dirrm include/libr12
-@dirrm include/libqt
-@dirrm include/libpsio
-@dirrm include/libiwl
-@dirrm include/libipv1
-@dirrm include/libint
-@dirrm include/libdpd
-@dirrm include/libderiv
-@dirrm include/libciomr
-@dirrm include/libchkpt
-@dirrm include/libbasis
-%%PORTDOCS%%share/psi3/pbasis.dat
-%%PORTDOCS%%share/psi3/psi.dat
-%%PORTDOCS%%%%DOCSDIR%%/libpsio.html
-%%PORTDOCS%%%%DOCSDIR%%/libdpd.html
-%%PORTDOCS%%%%DOCSDIR%%/cints.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/commandline.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/compile.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/description.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/examples.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/home.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/keywords.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/references.html
-%%PORTDOCS%%%%DOCSDIR%%/CINTS/toc.html
-%%PORTDOCS%%%%DOCSDIR%%/libqt.txt
-%%PORTDOCS%%%%DOCSDIR%%/libiwl.txt
-%%PORTDOCS%%%%DOCSDIR%%/installation.pdf
-%%PORTDOCS%%%%DOCSDIR%%/userman.pdf
-%%PORTDOCS%%%%DOCSDIR%%/progman.pdf
-%%PORTDOCS%%@dirrm share/doc/psi3/CINTS
-%%PORTDOCS%%@dirrm %%DOCSDIR%%
-%%EXAMPLESDIR%%/MakeRules.in
-%%EXAMPLESDIR%%/INDEX
 %%EXAMPLESDIR%%/Basis_Tests/Benchmarks
 %%EXAMPLESDIR%%/Basis_Tests/input.dat
 %%EXAMPLESDIR%%/Basis_Tests/psi_test.pl
 %%EXAMPLESDIR%%/Basis_Tests/standard.input
+%%EXAMPLESDIR%%/INDEX
+%%EXAMPLESDIR%%/MakeRules
+%%EXAMPLESDIR%%/MakeRules.in
+%%EXAMPLESDIR%%/MakeVars
 %%EXAMPLESDIR%%/MakeVars.in
+%%EXAMPLESDIR%%/Makefile
 %%EXAMPLESDIR%%/Makefile.in
-%%EXAMPLESDIR%%/driver.test.pl
-%%EXAMPLESDIR%%/psitest.pl
-%%EXAMPLESDIR%%/runtest.pl.in
+%%EXAMPLESDIR%%/README-NEW-TESTS
+%%EXAMPLESDIR%%/casscf-fzc-sp/Makefile
+%%EXAMPLESDIR%%/casscf-fzc-sp/Makefile.in
+%%EXAMPLESDIR%%/casscf-fzc-sp/input.dat
+%%EXAMPLESDIR%%/casscf-fzc-sp/output.ref
+%%EXAMPLESDIR%%/casscf-fzc-sp/psi.file14.ref
+%%EXAMPLESDIR%%/casscf-sa-sp/Makefile
+%%EXAMPLESDIR%%/casscf-sa-sp/Makefile.in
+%%EXAMPLESDIR%%/casscf-sa-sp/input.dat
+%%EXAMPLESDIR%%/casscf-sa-sp/output.ref
+%%EXAMPLESDIR%%/casscf-sa-sp/psi.file14.ref
+%%EXAMPLESDIR%%/casscf-sp/Makefile
 %%EXAMPLESDIR%%/casscf-sp/Makefile.in
-%%EXAMPLESDIR%%/casscf-sp/casscf-sp.test.pl
-%%EXAMPLESDIR%%/casscf-sp/file14.ref
 %%EXAMPLESDIR%%/casscf-sp/input.dat
 %%EXAMPLESDIR%%/casscf-sp/output.ref
-%%EXAMPLESDIR%%/casscf-sp/Makefile
+%%EXAMPLESDIR%%/casscf-sp/psi.file14.ref
+%%EXAMPLESDIR%%/cc1/Makefile
 %%EXAMPLESDIR%%/cc1/Makefile.in
-%%EXAMPLESDIR%%/cc1/cc1.test.pl
 %%EXAMPLESDIR%%/cc1/file11.ref
 %%EXAMPLESDIR%%/cc1/input.dat
 %%EXAMPLESDIR%%/cc1/output.ref
-%%EXAMPLESDIR%%/cc1/Makefile
+%%EXAMPLESDIR%%/cc10/Makefile
 %%EXAMPLESDIR%%/cc10/Makefile.in
-%%EXAMPLESDIR%%/cc10/cc10.test.pl
 %%EXAMPLESDIR%%/cc10/input.dat
 %%EXAMPLESDIR%%/cc10/output.ref
-%%EXAMPLESDIR%%/cc10/Makefile
+%%EXAMPLESDIR%%/cc11/Makefile
 %%EXAMPLESDIR%%/cc11/Makefile.in
-%%EXAMPLESDIR%%/cc11/cc11.test.pl
 %%EXAMPLESDIR%%/cc11/input.dat
 %%EXAMPLESDIR%%/cc11/output.ref
-%%EXAMPLESDIR%%/cc11/Makefile
+%%EXAMPLESDIR%%/cc12/Makefile
 %%EXAMPLESDIR%%/cc12/Makefile.in
-%%EXAMPLESDIR%%/cc12/cc12.test.pl
 %%EXAMPLESDIR%%/cc12/input.dat
 %%EXAMPLESDIR%%/cc12/output.ref
-%%EXAMPLESDIR%%/cc12/Makefile
+%%EXAMPLESDIR%%/cc13/Makefile
 %%EXAMPLESDIR%%/cc13/Makefile.in
-%%EXAMPLESDIR%%/cc13/cc13.test.pl
 %%EXAMPLESDIR%%/cc13/file11.ref
 %%EXAMPLESDIR%%/cc13/input.dat
 %%EXAMPLESDIR%%/cc13/output.ref
-%%EXAMPLESDIR%%/cc13/Makefile
+%%EXAMPLESDIR%%/cc14/Makefile
 %%EXAMPLESDIR%%/cc14/Makefile.in
-%%EXAMPLESDIR%%/cc14/cc14.test.pl
 %%EXAMPLESDIR%%/cc14/file11.ref
 %%EXAMPLESDIR%%/cc14/input.dat
 %%EXAMPLESDIR%%/cc14/output.ref
-%%EXAMPLESDIR%%/cc14/Makefile
+%%EXAMPLESDIR%%/cc15/Makefile
 %%EXAMPLESDIR%%/cc15/Makefile.in
-%%EXAMPLESDIR%%/cc15/cc15.test.pl
 %%EXAMPLESDIR%%/cc15/input.dat
 %%EXAMPLESDIR%%/cc15/output.ref
-%%EXAMPLESDIR%%/cc15/Makefile
+%%EXAMPLESDIR%%/cc16/Makefile
 %%EXAMPLESDIR%%/cc16/Makefile.in
-%%EXAMPLESDIR%%/cc16/cc16.test.pl
 %%EXAMPLESDIR%%/cc16/input.dat
 %%EXAMPLESDIR%%/cc16/output.ref
-%%EXAMPLESDIR%%/cc16/Makefile
+%%EXAMPLESDIR%%/cc17/Makefile
 %%EXAMPLESDIR%%/cc17/Makefile.in
-%%EXAMPLESDIR%%/cc17/cc17.test.pl
 %%EXAMPLESDIR%%/cc17/input.dat
 %%EXAMPLESDIR%%/cc17/output.ref
-%%EXAMPLESDIR%%/cc17/Makefile
+%%EXAMPLESDIR%%/cc18/Makefile
 %%EXAMPLESDIR%%/cc18/Makefile.in
-%%EXAMPLESDIR%%/cc18/cc18.test.pl
 %%EXAMPLESDIR%%/cc18/input.dat
 %%EXAMPLESDIR%%/cc18/output.ref
-%%EXAMPLESDIR%%/cc18/Makefile
+%%EXAMPLESDIR%%/cc19/Makefile
 %%EXAMPLESDIR%%/cc19/Makefile.in
-%%EXAMPLESDIR%%/cc19/cc19.test.pl
 %%EXAMPLESDIR%%/cc19/input.dat
 %%EXAMPLESDIR%%/cc19/output.ref
-%%EXAMPLESDIR%%/cc19/Makefile
+%%EXAMPLESDIR%%/cc2/Makefile
 %%EXAMPLESDIR%%/cc2/Makefile.in
-%%EXAMPLESDIR%%/cc2/cc2.test.pl
 %%EXAMPLESDIR%%/cc2/file11.ref
 %%EXAMPLESDIR%%/cc2/input.dat
 %%EXAMPLESDIR%%/cc2/output.ref
-%%EXAMPLESDIR%%/cc2/Makefile
+%%EXAMPLESDIR%%/cc21/Makefile
+%%EXAMPLESDIR%%/cc21/Makefile.in
+%%EXAMPLESDIR%%/cc21/file11.ref
+%%EXAMPLESDIR%%/cc21/input.dat
+%%EXAMPLESDIR%%/cc21/output.ref
+%%EXAMPLESDIR%%/cc22/Makefile
+%%EXAMPLESDIR%%/cc22/Makefile.in
+%%EXAMPLESDIR%%/cc22/input.dat
+%%EXAMPLESDIR%%/cc22/output.ref
+%%EXAMPLESDIR%%/cc23/Makefile
+%%EXAMPLESDIR%%/cc23/Makefile.in
+%%EXAMPLESDIR%%/cc23/file11.ref
+%%EXAMPLESDIR%%/cc23/input.dat
+%%EXAMPLESDIR%%/cc23/output.ref
+%%EXAMPLESDIR%%/cc24/Makefile
+%%EXAMPLESDIR%%/cc24/Makefile.in
+%%EXAMPLESDIR%%/cc24/file11.ref
+%%EXAMPLESDIR%%/cc24/input.dat
+%%EXAMPLESDIR%%/cc24/output.ref
+%%EXAMPLESDIR%%/cc25/Makefile
+%%EXAMPLESDIR%%/cc25/Makefile.in
+%%EXAMPLESDIR%%/cc25/file11.ref
+%%EXAMPLESDIR%%/cc25/input.dat
+%%EXAMPLESDIR%%/cc25/output.ref
+%%EXAMPLESDIR%%/cc26/Makefile
+%%EXAMPLESDIR%%/cc26/Makefile.in
+%%EXAMPLESDIR%%/cc26/file11.ref
+%%EXAMPLESDIR%%/cc26/input.dat
+%%EXAMPLESDIR%%/cc26/output.ref
+%%EXAMPLESDIR%%/cc27/Makefile
+%%EXAMPLESDIR%%/cc27/Makefile.in
+%%EXAMPLESDIR%%/cc27/file11.ref
+%%EXAMPLESDIR%%/cc27/input.dat
+%%EXAMPLESDIR%%/cc27/output.ref
+%%EXAMPLESDIR%%/cc28/Makefile
+%%EXAMPLESDIR%%/cc28/Makefile.in
+%%EXAMPLESDIR%%/cc28/input.dat
+%%EXAMPLESDIR%%/cc28/output.ref
+%%EXAMPLESDIR%%/cc29/Makefile
+%%EXAMPLESDIR%%/cc29/Makefile.in
+%%EXAMPLESDIR%%/cc29/input.dat
+%%EXAMPLESDIR%%/cc29/output.ref
+%%EXAMPLESDIR%%/cc3/Makefile
 %%EXAMPLESDIR%%/cc3/Makefile.in
-%%EXAMPLESDIR%%/cc3/cc3.test.pl
 %%EXAMPLESDIR%%/cc3/file11.ref
 %%EXAMPLESDIR%%/cc3/input.dat
 %%EXAMPLESDIR%%/cc3/output.ref
-%%EXAMPLESDIR%%/cc3/Makefile
+%%EXAMPLESDIR%%/cc30/Makefile
+%%EXAMPLESDIR%%/cc30/Makefile.in
+%%EXAMPLESDIR%%/cc30/input.dat
+%%EXAMPLESDIR%%/cc30/output.ref
+%%EXAMPLESDIR%%/cc31/Makefile
+%%EXAMPLESDIR%%/cc31/Makefile.in
+%%EXAMPLESDIR%%/cc31/input.dat
+%%EXAMPLESDIR%%/cc31/output.ref
+%%EXAMPLESDIR%%/cc32/Makefile
+%%EXAMPLESDIR%%/cc32/Makefile.in
+%%EXAMPLESDIR%%/cc32/input.dat
+%%EXAMPLESDIR%%/cc32/output.ref
+%%EXAMPLESDIR%%/cc33/Makefile
+%%EXAMPLESDIR%%/cc33/Makefile.in
+%%EXAMPLESDIR%%/cc33/input.dat
+%%EXAMPLESDIR%%/cc33/output.ref
+%%EXAMPLESDIR%%/cc34/Makefile
+%%EXAMPLESDIR%%/cc34/Makefile.in
+%%EXAMPLESDIR%%/cc34/input.dat
+%%EXAMPLESDIR%%/cc34/output.ref
+%%EXAMPLESDIR%%/cc35/Makefile
+%%EXAMPLESDIR%%/cc35/Makefile.in
+%%EXAMPLESDIR%%/cc35/input.dat
+%%EXAMPLESDIR%%/cc35/output.ref
+%%EXAMPLESDIR%%/cc36/Makefile
+%%EXAMPLESDIR%%/cc36/Makefile.in
+%%EXAMPLESDIR%%/cc36/input.dat
+%%EXAMPLESDIR%%/cc36/output.ref
+%%EXAMPLESDIR%%/cc37/Makefile
+%%EXAMPLESDIR%%/cc37/Makefile.in
+%%EXAMPLESDIR%%/cc37/input.dat
+%%EXAMPLESDIR%%/cc37/output.ref
+%%EXAMPLESDIR%%/cc38/Makefile
+%%EXAMPLESDIR%%/cc38/Makefile.in
+%%EXAMPLESDIR%%/cc38/input.dat
+%%EXAMPLESDIR%%/cc38/output.ref
+%%EXAMPLESDIR%%/cc39/Makefile
+%%EXAMPLESDIR%%/cc39/Makefile.in
+%%EXAMPLESDIR%%/cc39/input.dat
+%%EXAMPLESDIR%%/cc39/output.ref
+%%EXAMPLESDIR%%/cc4/Makefile
 %%EXAMPLESDIR%%/cc4/Makefile.in
-%%EXAMPLESDIR%%/cc4/cc4.test.pl
 %%EXAMPLESDIR%%/cc4/input.dat
 %%EXAMPLESDIR%%/cc4/output.ref
-%%EXAMPLESDIR%%/cc4/Makefile
+%%EXAMPLESDIR%%/cc40/Makefile
+%%EXAMPLESDIR%%/cc40/Makefile.in
+%%EXAMPLESDIR%%/cc40/input.dat
+%%EXAMPLESDIR%%/cc40/output.ref
+%%EXAMPLESDIR%%/cc41/Makefile
+%%EXAMPLESDIR%%/cc41/Makefile.in
+%%EXAMPLESDIR%%/cc41/input.dat
+%%EXAMPLESDIR%%/cc41/output.ref
+%%EXAMPLESDIR%%/cc42/Makefile
+%%EXAMPLESDIR%%/cc42/Makefile.in
+%%EXAMPLESDIR%%/cc42/input.dat
+%%EXAMPLESDIR%%/cc42/output.ref
+%%EXAMPLESDIR%%/cc43/Makefile
+%%EXAMPLESDIR%%/cc43/Makefile.in
+%%EXAMPLESDIR%%/cc43/input.dat
+%%EXAMPLESDIR%%/cc43/output.ref
+%%EXAMPLESDIR%%/cc44/Makefile
+%%EXAMPLESDIR%%/cc44/Makefile.in
+%%EXAMPLESDIR%%/cc44/input.dat
+%%EXAMPLESDIR%%/cc44/output.ref
+%%EXAMPLESDIR%%/cc45/Makefile
+%%EXAMPLESDIR%%/cc45/Makefile.in
+%%EXAMPLESDIR%%/cc45/input.dat
+%%EXAMPLESDIR%%/cc45/output.ref
+%%EXAMPLESDIR%%/cc46/Makefile
+%%EXAMPLESDIR%%/cc46/Makefile.in
+%%EXAMPLESDIR%%/cc46/input.dat
+%%EXAMPLESDIR%%/cc46/output.ref
+%%EXAMPLESDIR%%/cc47/Makefile
+%%EXAMPLESDIR%%/cc47/Makefile.in
+%%EXAMPLESDIR%%/cc47/input.dat
+%%EXAMPLESDIR%%/cc47/output.ref
+%%EXAMPLESDIR%%/cc48/Makefile
+%%EXAMPLESDIR%%/cc48/Makefile.in
+%%EXAMPLESDIR%%/cc48/input.dat
+%%EXAMPLESDIR%%/cc48/output.ref
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-%%EXAMPLESDIR%%/uhf-stab/uhf-stab.test.pl
-%%EXAMPLESDIR%%/uhf-stab/Makefile
-%%EXAMPLESDIR%%/uhf-stab/uhf-stab.pl
 %%EXAMPLESDIR%%/uhf-stab-follow/Makefile.in
 %%EXAMPLESDIR%%/uhf-stab-follow/input.dat
 %%EXAMPLESDIR%%/uhf-stab-follow/output.ref
 %%EXAMPLESDIR%%/uhf-stab-follow/uhf-stab-follow.pl.in
 %%EXAMPLESDIR%%/uhf-stab-follow/uhf-stab-follow.test.pl
-%%EXAMPLESDIR%%/uhf-grad1/Makefile
-%%EXAMPLESDIR%%/uhf-grad1/Makefile.in
-%%EXAMPLESDIR%%/uhf-grad1/file11.ref
-%%EXAMPLESDIR%%/uhf-grad1/input.dat
-%%EXAMPLESDIR%%/uhf-grad1/output.ref
-%%EXAMPLESDIR%%/Makefile
-%%EXAMPLESDIR%%/MakeVars
-%%EXAMPLESDIR%%/MakeRules
-%%EXAMPLESDIR%%/runtest.pl
+%%EXAMPLESDIR%%/uhf-stab/Makefile
+%%EXAMPLESDIR%%/uhf-stab/Makefile.in
+%%EXAMPLESDIR%%/uhf-stab/input.dat
+%%EXAMPLESDIR%%/uhf-stab/output.ref
+%%EXAMPLESDIR%%/uhf-stab/uhf-stab.pl
+%%EXAMPLESDIR%%/uhf-stab/uhf-stab.pl.in
+%%EXAMPLESDIR%%/uhf-stab/uhf-stab.test.pl
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/commandline.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/compile.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/description.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/examples.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/home.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/keywords.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/references.html
+%%PORTDOCS%%%%DOCSDIR%%/CINTS/toc.html
+%%PORTDOCS%%%%DOCSDIR%%/cints.html
+%%PORTDOCS%%%%DOCSDIR%%/installation.pdf
+%%PORTDOCS%%%%DOCSDIR%%/libdpd.html
+%%PORTDOCS%%%%DOCSDIR%%/libiwl.txt
+%%PORTDOCS%%%%DOCSDIR%%/libpsio.html
+%%PORTDOCS%%%%DOCSDIR%%/libqt.txt
+%%PORTDOCS%%%%DOCSDIR%%/progman.pdf
+%%PORTDOCS%%%%DOCSDIR%%/userman.pdf
+%%PORTDOCS%%share/psi3/pbasis.dat
+%%PORTDOCS%%share/psi3/psi.dat
+%%PORTDOCS%%@dirrm share/doc/psi3/CINTS
+%%PORTDOCS%%@dirrm %%DOCSDIR%%
+@dirrm include/libr12
+@dirrm include/libqt
+@dirrm include/libpsio
+@dirrm include/libiwl
+@dirrm include/libipv1
+@dirrm include/libint
+@dirrm include/libdpd
+@dirrm include/libderiv
+@dirrm include/libciomr
+@dirrm include/libchkpt
+@dirrm include/libbasis
 @dirrm %%EXAMPLESDIR%%/uhf-stab-follow
 @dirrm %%EXAMPLESDIR%%/uhf-stab
-@dirrm %%EXAMPLESDIR%%/uhf-grad1
 @dirrm %%EXAMPLESDIR%%/uhf-lindep1
+@dirrm %%EXAMPLESDIR%%/scf-symm-fc-numer
 @dirrm %%EXAMPLESDIR%%/scf-polar
 @dirrm %%EXAMPLESDIR%%/scf-opt9
-@dirrm %%EXAMPLESDIR%%/scf-opt8
 @dirrm %%EXAMPLESDIR%%/scf-opt7
 @dirrm %%EXAMPLESDIR%%/scf-opt6
 @dirrm %%EXAMPLESDIR%%/scf-opt5
 @dirrm %%EXAMPLESDIR%%/scf-opt4
 @dirrm %%EXAMPLESDIR%%/scf-opt3
+@dirrm %%EXAMPLESDIR%%/scf-opt2-numer
 @dirrm %%EXAMPLESDIR%%/scf-opt2
+@dirrm %%EXAMPLESDIR%%/scf-opt12
 @dirrm %%EXAMPLESDIR%%/scf-opt11
 @dirrm %%EXAMPLESDIR%%/scf-opt10
 @dirrm %%EXAMPLESDIR%%/scf-opt-numer
 @dirrm %%EXAMPLESDIR%%/scf-opt
-@dirrm %%EXAMPLESDIR%%/scf-freq-symm-numer
-@dirrm %%EXAMPLESDIR%%/scf-freq-numer
+@dirrm %%EXAMPLESDIR%%/scf-freq-none-5
+@dirrm %%EXAMPLESDIR%%/scf-freq-none-3
+@dirrm %%EXAMPLESDIR%%/scf-freq-first-5
+@dirrm %%EXAMPLESDIR%%/scf-freq-first-3
 @dirrm %%EXAMPLESDIR%%/scf-freq
+@dirrm %%EXAMPLESDIR%%/scf-fc-numer
 @dirrm %%EXAMPLESDIR%%/rohf-stab
 @dirrm %%EXAMPLESDIR%%/rohf-lindep1
-@dirrm %%EXAMPLESDIR%%/rohf-grad1
 @dirrm %%EXAMPLESDIR%%/rhf-stab
 @dirrm %%EXAMPLESDIR%%/rhf-oeprop
 @dirrm %%EXAMPLESDIR%%/rhf-lindep1
+@dirrm %%EXAMPLESDIR%%/rasscf-sp
 @dirrm %%EXAMPLESDIR%%/psi_start
 @dirrm %%EXAMPLESDIR%%/mp2r12-sp1
 @dirrm %%EXAMPLESDIR%%/mp2-sp
+@dirrm %%EXAMPLESDIR%%/mp2-scs
 @dirrm %%EXAMPLESDIR%%/mp2-opt-numer
+@dirrm %%EXAMPLESDIR%%/mp2-opt
 @dirrm %%EXAMPLESDIR%%/mp2-oeprop
 @dirrm %%EXAMPLESDIR%%/mp2-direct-sp
+@dirrm %%EXAMPLESDIR%%/fci-trans
+@dirrm %%EXAMPLESDIR%%/fci-h2o
+@dirrm %%EXAMPLESDIR%%/fci-dipole
 @dirrm %%EXAMPLESDIR%%/extrema-zmat
 @dirrm %%EXAMPLESDIR%%/extrema-deloc
 @dirrm %%EXAMPLESDIR%%/dboc-uhf1
@@ -519,13 +694,45 @@ lib/libPSI_r12.a
 @dirrm %%EXAMPLESDIR%%/cisd-sp
 @dirrm %%EXAMPLESDIR%%/cisd-opt-numer
 @dirrm %%EXAMPLESDIR%%/cis-sp
+@dirrm %%EXAMPLESDIR%%/cints-d1eri
+@dirrm %%EXAMPLESDIR%%/ci-tdm
 @dirrm %%EXAMPLESDIR%%/cc9
 @dirrm %%EXAMPLESDIR%%/cc8
 @dirrm %%EXAMPLESDIR%%/cc7
 @dirrm %%EXAMPLESDIR%%/cc6
+@dirrm %%EXAMPLESDIR%%/cc50
 @dirrm %%EXAMPLESDIR%%/cc5
+@dirrm %%EXAMPLESDIR%%/cc49
+@dirrm %%EXAMPLESDIR%%/cc48
+@dirrm %%EXAMPLESDIR%%/cc47
+@dirrm %%EXAMPLESDIR%%/cc46
+@dirrm %%EXAMPLESDIR%%/cc45
+@dirrm %%EXAMPLESDIR%%/cc44
+@dirrm %%EXAMPLESDIR%%/cc43
+@dirrm %%EXAMPLESDIR%%/cc42
+@dirrm %%EXAMPLESDIR%%/cc41
+@dirrm %%EXAMPLESDIR%%/cc40
 @dirrm %%EXAMPLESDIR%%/cc4
+@dirrm %%EXAMPLESDIR%%/cc39
+@dirrm %%EXAMPLESDIR%%/cc38
+@dirrm %%EXAMPLESDIR%%/cc37
+@dirrm %%EXAMPLESDIR%%/cc36
+@dirrm %%EXAMPLESDIR%%/cc35
+@dirrm %%EXAMPLESDIR%%/cc34
+@dirrm %%EXAMPLESDIR%%/cc33
+@dirrm %%EXAMPLESDIR%%/cc32
+@dirrm %%EXAMPLESDIR%%/cc31
+@dirrm %%EXAMPLESDIR%%/cc30
 @dirrm %%EXAMPLESDIR%%/cc3
+@dirrm %%EXAMPLESDIR%%/cc29
+@dirrm %%EXAMPLESDIR%%/cc28
+@dirrm %%EXAMPLESDIR%%/cc27
+@dirrm %%EXAMPLESDIR%%/cc26
+@dirrm %%EXAMPLESDIR%%/cc25
+@dirrm %%EXAMPLESDIR%%/cc24
+@dirrm %%EXAMPLESDIR%%/cc23
+@dirrm %%EXAMPLESDIR%%/cc22
+@dirrm %%EXAMPLESDIR%%/cc21
 @dirrm %%EXAMPLESDIR%%/cc2
 @dirrm %%EXAMPLESDIR%%/cc19
 @dirrm %%EXAMPLESDIR%%/cc18
@@ -539,6 +746,8 @@ lib/libPSI_r12.a
 @dirrm %%EXAMPLESDIR%%/cc10
 @dirrm %%EXAMPLESDIR%%/cc1
 @dirrm %%EXAMPLESDIR%%/casscf-sp
+@dirrm %%EXAMPLESDIR%%/casscf-sa-sp
+@dirrm %%EXAMPLESDIR%%/casscf-fzc-sp
 @dirrm %%EXAMPLESDIR%%/Basis_Tests
 @dirrm %%EXAMPLESDIR%%
 @dirrm %%DATADIR%%