Update to 2.1.4

4 files changed, 1747 insertions, 1715 deletions

diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index 4806cd2f3dce..011e49be4e8b 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -6,7 +6,7 @@
 #
 
 PORTNAME=	mpqc
-PORTVERSION=	2.1.3
+PORTVERSION=	2.1.4
 CATEGORIES=	science parallel
 MASTER_SITES=	http://aros.ca.sandia.gov/~cljanss/mpqc/distrib/
 DISTFILES=      mpqc-${PORTVERSION}.tar.gz mpqc-val-2.1.0.tar.gz
@@ -17,11 +17,13 @@ DISTFILES+= mpqc-man-${PORTVERSION}.tar.gz mpqc-html-${PORTVERSION}.tar.gz
 MAINTAINER=	maho@FreeBSD.org
 COMMENT=	The massively parallel quantum computing library and program
 
+RUN_DEPENDS=	autoconf257:${PORTSDIR}/devel/autoconf257
 LIB_DEPENDS=	lapack:${PORTSDIR}/math/lapack \
 		atlas:${PORTSDIR}/math/atlas
 
 USE_BISON=	yes
-USE_AUTOCONF=	yes
+GNU_CONFIGURE=	yes
+#USE_AUTOCONF_VER=	253 # 257 is required
 CONFIGURE_ARGS=	--with-cc=${CC} \
 		--with-cxx=${CXX} \
 		--with-f77=${FC} \
@@ -51,21 +53,26 @@ CXXFLAGS+=      -mcpu=i686 -march=i686 -mfancy-math-387
 
 pre-configure:
 	@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
+	@cd ${WRKSRC} ; ${LOCALBASE}/bin/autoconf257
 
 do-install:
 	@cd ${WRKSRC} ; ${GMAKE} install
 	@cd ${WRKSRC} ; ${GMAKE} install_devel
-	@cd ${WRKDIR}/${PORTNAME}-man-${PORTVERSION}/man3/ ; ${TAR} -chf - . | \
-		${TAR} -xf - -C ${PREFIX}/man/man3/
+	@cd ${WRKDIR}/${PORTNAME}-man-${PORTVERSION}/man3/ ; \
+	${INSTALL_MAN} * ${PREFIX}/man/man3
 	@${MKDIR} ${PREFIX}/share/mpqc/ref
 	@cd ${WRKDIR}/ref/ ; ${TAR} -chf - . | \
 		${TAR} -xf - -C ${PREFIX}/share/mpqc/ref
+	@${FIND} ${PREFIX}/share/mpqc/ref | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
+	@${FIND} ${PREFIX}/share/mpqc/ref -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
 
 post-install:
 .if !defined(NOPORTDOCS)
-	@${MKDIR} ${PREFIX}/share/doc/mpqc
+	@${MKDIR} ${DOCSDIR}
 	@cd ${WRKDIR}/${PORTNAME}-html-${PORTVERSION} && ${TAR} -chf - . | \
-		${TAR} -xf - -C ${PREFIX}/share/doc/mpqc/
+		${TAR} -xf - -C ${DOCSDIR}
+	@${FIND} ${DOCSDIR} | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
+	@${FIND} ${DOCSDIR} -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
 .endif
 
 validate:   # it takes few days
diff --git a/science/mpqc/distinfo b/science/mpqc/distinfo
index 307585cb35fa..177094dda13a 100644
--- a/science/mpqc/distinfo
+++ b/science/mpqc/distinfo
@@ -1,4 +1,4 @@
-MD5 (mpqc-2.1.3.tar.gz) = ea81bc949e85da0fdd07b5102986f73f
+MD5 (mpqc-2.1.4.tar.gz) = b51350bd47570a4dad7f682a5a4f12b1
 MD5 (mpqc-val-2.1.0.tar.gz) = 6bc61c91288d2e45c170542079b60405
-MD5 (mpqc-man-2.1.3.tar.gz) = c50fa85deb3e5d14fe9006c655c0fb9f
-MD5 (mpqc-html-2.1.3.tar.gz) = 31daa51cb188af0f9b5406c00174fbdb
+MD5 (mpqc-man-2.1.4.tar.gz) = d46b754bfe891557bcd1e04dc7e48b74
+MD5 (mpqc-html-2.1.4.tar.gz) = 894ce667c532a168d5984fc4323926f6
diff --git a/science/mpqc/files/manpages b/science/mpqc/files/manpages
index acc2ab5fd59e..426adfe86cf3 100644
--- a/science/mpqc/files/manpages
+++ b/science/mpqc/files/manpages
@@ -1,4 +1,30 @@
 MAN3= \
+class.3 \
+compile.3 \
+develop.3 \
+download.3 \
+group.3 \
+keyval.3 \
+molrender.3 \
+mpqc.3 \
+mpqccomp.3 \
+mpqcinp.3 \
+mpqclic.3 \
+mpqcoo.3 \
+mpqcover.3 \
+mpqcpsi.3 \
+mpqcrun.3 \
+mpqcsimp.3 \
+mpqcval.3 \
+mpqcwar.3 \
+overview.3 \
+ref.3 \
+scls.3 \
+scmat.3 \
+scpr.3 \
+srctree.3 \
+state.3 \
+symmetry.3 \
 sc_AccResult.3 \
 sc_AccResultInfo.3 \
 sc_ActiveMsgMemoryGrp.3 \
@@ -230,3 +256,4 @@ sc_XalphaFunctional.3 \
 sc_intMessageGrp.3 \
 sc_mPW91XFunctional.3 \
 sc_scprintf.3
+
diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist
index 391d73981734..80b256ddc6d2 100644
--- a/science/mpqc/pkg-plist
+++ b/science/mpqc/pkg-plist
@@ -1,4 +1,5 @@
 bin/chkmpqcout
+bin/sc-libtool
 bin/molrender
 bin/mpqc
 bin/sc-config
@@ -6,307 +7,305 @@ bin/sc-mkf77sym
 bin/scls
 bin/scpr
 bin/tkmolrender
-include/mpqc/%%VERSION%%/util/options/GetLongOpt.h
-include/mpqc/%%VERSION%%/util/options/LIBS.h
-@dirrm include/mpqc/%%VERSION%%/util/options
-include/mpqc/%%VERSION%%/util/ref/LIBS.h
-include/mpqc/%%VERSION%%/util/ref/identity.h
-include/mpqc/%%VERSION%%/util/ref/ref.h
-include/mpqc/%%VERSION%%/util/ref/reftestx.h
-@dirrm include/mpqc/%%VERSION%%/util/ref
-include/mpqc/%%VERSION%%/util/container/LIBS.h
-include/mpqc/%%VERSION%%/util/container/ar2mac.h
-include/mpqc/%%VERSION%%/util/container/ar2tem.h
-include/mpqc/%%VERSION%%/util/container/armac.h
-include/mpqc/%%VERSION%%/util/container/array.h
-include/mpqc/%%VERSION%%/util/container/artem.h
-include/mpqc/%%VERSION%%/util/container/avlmap.h
-include/mpqc/%%VERSION%%/util/container/avlset.h
-include/mpqc/%%VERSION%%/util/container/bitarray.h
-include/mpqc/%%VERSION%%/util/container/carray.h
-include/mpqc/%%VERSION%%/util/container/compare.h
-include/mpqc/%%VERSION%%/util/container/eavlmmap.h
-include/mpqc/%%VERSION%%/util/container/ssar2mac.h
-include/mpqc/%%VERSION%%/util/container/ssar2tem.h
-include/mpqc/%%VERSION%%/util/container/ssarmac.h
-include/mpqc/%%VERSION%%/util/container/ssartem.h
-@dirrm include/mpqc/%%VERSION%%/util/container
-include/mpqc/%%VERSION%%/util/class/LIBS.h
-include/mpqc/%%VERSION%%/util/class/class.h
-include/mpqc/%%VERSION%%/util/class/classdefs.h
-include/mpqc/%%VERSION%%/util/class/classkeydefs.h
-include/mpqc/%%VERSION%%/util/class/classldefs.h
-include/mpqc/%%VERSION%%/util/class/proxy.h
-@dirrm include/mpqc/%%VERSION%%/util/class
-include/mpqc/%%VERSION%%/util/state/LIBS.h
-include/mpqc/%%VERSION%%/util/state/array.h
-include/mpqc/%%VERSION%%/util/state/linkage.h
-include/mpqc/%%VERSION%%/util/state/proxy.h
-include/mpqc/%%VERSION%%/util/state/state.h
-include/mpqc/%%VERSION%%/util/state/state_bin.h
-include/mpqc/%%VERSION%%/util/state/state_file.h
-include/mpqc/%%VERSION%%/util/state/state_net.h
-include/mpqc/%%VERSION%%/util/state/state_text.h
-include/mpqc/%%VERSION%%/util/state/statein.h
-include/mpqc/%%VERSION%%/util/state/stateio.h
-include/mpqc/%%VERSION%%/util/state/stateout.h
-include/mpqc/%%VERSION%%/util/state/translate.h
-@dirrm include/mpqc/%%VERSION%%/util/state
-include/mpqc/%%VERSION%%/util/misc/LIBS.h
-include/mpqc/%%VERSION%%/util/misc/bug.h
-include/mpqc/%%VERSION%%/util/misc/comptmpl.h
-include/mpqc/%%VERSION%%/util/misc/compute.h
-include/mpqc/%%VERSION%%/util/misc/exenv.h
-include/mpqc/%%VERSION%%/util/misc/formio.h
-include/mpqc/%%VERSION%%/util/misc/ieee.h
-include/mpqc/%%VERSION%%/util/misc/newstring.h
-include/mpqc/%%VERSION%%/util/misc/regtime.h
-include/mpqc/%%VERSION%%/util/misc/scint.h
-include/mpqc/%%VERSION%%/util/misc/timer.h
-include/mpqc/%%VERSION%%/util/misc/units.h
-@dirrm include/mpqc/%%VERSION%%/util/misc
-include/mpqc/%%VERSION%%/util/keyval/LIBS.h
-include/mpqc/%%VERSION%%/util/keyval/ipv2.h
-include/mpqc/%%VERSION%%/util/keyval/ipv2_parse.h
-include/mpqc/%%VERSION%%/util/keyval/ipv2_scan.h
-include/mpqc/%%VERSION%%/util/keyval/keyval.h
-include/mpqc/%%VERSION%%/util/keyval/keyvaldefs.h
-include/mpqc/%%VERSION%%/util/keyval/keyvalval.h
-@dirrm include/mpqc/%%VERSION%%/util/keyval
-include/mpqc/%%VERSION%%/util/group/LIBS.h
-include/mpqc/%%VERSION%%/util/group/globcnt.h
-include/mpqc/%%VERSION%%/util/group/hcube.h
-include/mpqc/%%VERSION%%/util/group/linkage.h
-include/mpqc/%%VERSION%%/util/group/memamsg.h
-include/mpqc/%%VERSION%%/util/group/memiter.h
-include/mpqc/%%VERSION%%/util/group/memmsg.h
-include/mpqc/%%VERSION%%/util/group/memmtmpi.h
-include/mpqc/%%VERSION%%/util/group/memory.h
-include/mpqc/%%VERSION%%/util/group/memproc.h
-include/mpqc/%%VERSION%%/util/group/memshm.h
-include/mpqc/%%VERSION%%/util/group/message.h
-include/mpqc/%%VERSION%%/util/group/messaget.h
-include/mpqc/%%VERSION%%/util/group/messmpi.h
-include/mpqc/%%VERSION%%/util/group/messshm.h
-include/mpqc/%%VERSION%%/util/group/mstate.h
-include/mpqc/%%VERSION%%/util/group/pool.h
-include/mpqc/%%VERSION%%/util/group/pregtime.h
-include/mpqc/%%VERSION%%/util/group/rnglock.h
-include/mpqc/%%VERSION%%/util/group/thpthd.h
-include/mpqc/%%VERSION%%/util/group/thpuma.h
-include/mpqc/%%VERSION%%/util/group/thread.h
-include/mpqc/%%VERSION%%/util/group/topology.h
-@dirrm include/mpqc/%%VERSION%%/util/group
-include/mpqc/%%VERSION%%/util/render/LIBS.h
-include/mpqc/%%VERSION%%/util/render/algebra3.h
-include/mpqc/%%VERSION%%/util/render/animate.h
-include/mpqc/%%VERSION%%/util/render/appearance.h
-include/mpqc/%%VERSION%%/util/render/color.h
-include/mpqc/%%VERSION%%/util/render/find.h
-include/mpqc/%%VERSION%%/util/render/linkage.h
-include/mpqc/%%VERSION%%/util/render/material.h
-include/mpqc/%%VERSION%%/util/render/object.h
-include/mpqc/%%VERSION%%/util/render/oogl.h
-include/mpqc/%%VERSION%%/util/render/parameter.h
-include/mpqc/%%VERSION%%/util/render/polygons.h
-include/mpqc/%%VERSION%%/util/render/polylines.h
-include/mpqc/%%VERSION%%/util/render/polysphere.h
-include/mpqc/%%VERSION%%/util/render/render.h
-include/mpqc/%%VERSION%%/util/render/sphere.h
-include/mpqc/%%VERSION%%/util/render/stack.h
-include/mpqc/%%VERSION%%/util/render/transform.h
-@dirrm include/mpqc/%%VERSION%%/util/render
-@dirrm include/mpqc/%%VERSION%%/util
-include/mpqc/%%VERSION%%/math/linpackd/LIBS.h
-include/mpqc/%%VERSION%%/math/linpackd/linpackd.h
-@dirrm include/mpqc/%%VERSION%%/math/linpackd
-include/mpqc/%%VERSION%%/math/scmat/LIBS.h
-include/mpqc/%%VERSION%%/math/scmat/abstract.h
-include/mpqc/%%VERSION%%/math/scmat/blkiter.h
-include/mpqc/%%VERSION%%/math/scmat/block.h
-include/mpqc/%%VERSION%%/math/scmat/blocked.h
-include/mpqc/%%VERSION%%/math/scmat/cmatrix.h
-include/mpqc/%%VERSION%%/math/scmat/dim.h
-include/mpqc/%%VERSION%%/math/scmat/dist.h
-include/mpqc/%%VERSION%%/math/scmat/disthql.h
-include/mpqc/%%VERSION%%/math/scmat/elemop.h
-include/mpqc/%%VERSION%%/math/scmat/f77sym.h
-include/mpqc/%%VERSION%%/math/scmat/linkage.h
-include/mpqc/%%VERSION%%/math/scmat/local.h
-include/mpqc/%%VERSION%%/math/scmat/matrix.h
-include/mpqc/%%VERSION%%/math/scmat/matrix3.h
-include/mpqc/%%VERSION%%/math/scmat/matrix_i.h
-include/mpqc/%%VERSION%%/math/scmat/mops.h
-include/mpqc/%%VERSION%%/math/scmat/offset.h
-include/mpqc/%%VERSION%%/math/scmat/repl.h
-include/mpqc/%%VERSION%%/math/scmat/result.h
-include/mpqc/%%VERSION%%/math/scmat/vector3.h
-include/mpqc/%%VERSION%%/math/scmat/vector3_i.h
-@dirrm include/mpqc/%%VERSION%%/math/scmat
-include/mpqc/%%VERSION%%/math/optimize/LIBS.h
-include/mpqc/%%VERSION%%/math/optimize/conv.h
-include/mpqc/%%VERSION%%/math/optimize/diis.h
-include/mpqc/%%VERSION%%/math/optimize/efc.h
-include/mpqc/%%VERSION%%/math/optimize/function.h
-include/mpqc/%%VERSION%%/math/optimize/gdiis.h
-include/mpqc/%%VERSION%%/math/optimize/linkage.h
-include/mpqc/%%VERSION%%/math/optimize/newton.h
-include/mpqc/%%VERSION%%/math/optimize/opt.h
-include/mpqc/%%VERSION%%/math/optimize/qnewton.h
-include/mpqc/%%VERSION%%/math/optimize/scextrap.h
-include/mpqc/%%VERSION%%/math/optimize/scextrapmat.h
-include/mpqc/%%VERSION%%/math/optimize/steep.h
-include/mpqc/%%VERSION%%/math/optimize/transform.h
-include/mpqc/%%VERSION%%/math/optimize/update.h
-@dirrm include/mpqc/%%VERSION%%/math/optimize
-include/mpqc/%%VERSION%%/math/isosurf/LIBS.h
-include/mpqc/%%VERSION%%/math/isosurf/edge.h
-include/mpqc/%%VERSION%%/math/isosurf/edgedefs.h
-include/mpqc/%%VERSION%%/math/isosurf/implicit.h
-include/mpqc/%%VERSION%%/math/isosurf/isosurf.h
-include/mpqc/%%VERSION%%/math/isosurf/shape.h
-include/mpqc/%%VERSION%%/math/isosurf/surf.h
-include/mpqc/%%VERSION%%/math/isosurf/triangle.h
-include/mpqc/%%VERSION%%/math/isosurf/tricoef.h
-include/mpqc/%%VERSION%%/math/isosurf/vertex.h
-include/mpqc/%%VERSION%%/math/isosurf/volume.h
-include/mpqc/%%VERSION%%/math/isosurf/volume_i.h
-@dirrm include/mpqc/%%VERSION%%/math/isosurf
-include/mpqc/%%VERSION%%/math/symmetry/LIBS.h
-include/mpqc/%%VERSION%%/math/symmetry/corrtab.h
-include/mpqc/%%VERSION%%/math/symmetry/pointgrp.h
-@dirrm include/mpqc/%%VERSION%%/math/symmetry
-@dirrm include/mpqc/%%VERSION%%/math
-include/mpqc/%%VERSION%%/chemistry/molecule/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/molecule/atominfo.h
-include/mpqc/%%VERSION%%/chemistry/molecule/coor.h
-include/mpqc/%%VERSION%%/chemistry/molecule/energy.h
-include/mpqc/%%VERSION%%/chemistry/molecule/fdhess.h
-include/mpqc/%%VERSION%%/chemistry/molecule/formula.h
-include/mpqc/%%VERSION%%/chemistry/molecule/hess.h
-include/mpqc/%%VERSION%%/chemistry/molecule/linkage.h
-include/mpqc/%%VERSION%%/chemistry/molecule/localdef.h
-include/mpqc/%%VERSION%%/chemistry/molecule/molecule.h
-include/mpqc/%%VERSION%%/chemistry/molecule/molfreq.h
-include/mpqc/%%VERSION%%/chemistry/molecule/molrender.h
-include/mpqc/%%VERSION%%/chemistry/molecule/molshape.h
-include/mpqc/%%VERSION%%/chemistry/molecule/simple.h
-include/mpqc/%%VERSION%%/chemistry/molecule/taylor.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/molecule
-include/mpqc/%%VERSION%%/chemistry/solvent/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/solvent/bem.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/solvent
-include/mpqc/%%VERSION%%/chemistry/qc/basis/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/basis.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/cartiter.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/dercent.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/extent.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/f77sym.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/files.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/gaussbas.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/gaussshell.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/integral.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/obint.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/petite.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/shellrot.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/sobasis.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/sointegral.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/symmint.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/tbint.h
-include/mpqc/%%VERSION%%/chemistry/qc/basis/transform.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/basis
-include/mpqc/%%VERSION%%/chemistry/qc/oint3/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/oint3/build.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/oint3
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/array.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/cartitv3.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/fjt.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/flags.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/int1e.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/int2e.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/intv3.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/macros.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/obintv3.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/storage.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/tbintv3.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/tformv3.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/types.h
-include/mpqc/%%VERSION%%/chemistry/qc/intv3/utils.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/intv3
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/accum.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/density.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/eht.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/linkage.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/obwfn.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/orbital.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/solvent.h
-include/mpqc/%%VERSION%%/chemistry/qc/wfn/wfn.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/wfn
-include/mpqc/%%VERSION%%/chemistry/qc/scf/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/clhf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/clhftmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/clscf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/effh.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/gbuild.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/hsoshf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/hsoshftmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/hsosscf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/lbgbuild.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/lgbuild.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/linkage.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/ltbgrad.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/osshf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/osshftmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/ossscf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/scf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/scflocal.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/scfops.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/tbgrad.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/tchf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/tchftmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/tcscf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/uhf.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/uhftmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/scf/uscf.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/scf
-include/mpqc/%%VERSION%%/chemistry/qc/dft/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/clks.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/clkstmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/functional.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/hsosks.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/hsoskstmpl.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/integrator.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/linkage.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/uks.h
-include/mpqc/%%VERSION%%/chemistry/qc/dft/ukstmpl.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/dft
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/bzerofast.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/csgrad34qb.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/csgrade12.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/csgrads2pdm.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/distsh.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/hsosv1e1.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/linkage.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/mbpt.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/mp2extrap.h
-include/mpqc/%%VERSION%%/chemistry/qc/mbpt/util.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/mbpt
-include/mpqc/%%VERSION%%/chemistry/qc/psi/LIBS.h
-include/mpqc/%%VERSION%%/chemistry/qc/psi/linkage.h
-include/mpqc/%%VERSION%%/chemistry/qc/psi/psiexenv.h
-include/mpqc/%%VERSION%%/chemistry/qc/psi/psifile11.h
-include/mpqc/%%VERSION%%/chemistry/qc/psi/psiinput.h
-include/mpqc/%%VERSION%%/chemistry/qc/psi/psiwfn.h
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc/psi
-@dirrm include/mpqc/%%VERSION%%/chemistry/qc
-@dirrm include/mpqc/%%VERSION%%/chemistry
-include/mpqc/%%VERSION%%/scconfig.h
-include/mpqc/%%VERSION%%/scdirlist.h
-@dirrm include/mpqc/%%VERSION%%
-@dirrm include/mpqc
+include/util/options/GetLongOpt.h
+include/util/options/LIBS.h
+include/util/ref/LIBS.h
+include/util/ref/identity.h
+include/util/ref/ref.h
+include/util/ref/reftestx.h
+include/util/container/LIBS.h
+include/util/container/ar2mac.h
+include/util/container/ar2tem.h
+include/util/container/armac.h
+include/util/container/array.h
+include/util/container/artem.h
+include/util/container/avlmap.h
+include/util/container/avlset.h
+include/util/container/bitarray.h
+include/util/container/carray.h
+include/util/container/compare.h
+include/util/container/eavlmmap.h
+include/util/container/ssar2mac.h
+include/util/container/ssar2tem.h
+include/util/container/ssarmac.h
+include/util/container/ssartem.h
+include/util/class/LIBS.h
+include/util/class/class.h
+include/util/class/classdefs.h
+include/util/class/classkeydefs.h
+include/util/class/classldefs.h
+include/util/class/proxy.h
+include/util/state/LIBS.h
+include/util/state/array.h
+include/util/state/linkage.h
+include/util/state/proxy.h
+include/util/state/state.h
+include/util/state/state_bin.h
+include/util/state/state_file.h
+include/util/state/state_net.h
+include/util/state/state_text.h
+include/util/state/statein.h
+include/util/state/stateio.h
+include/util/state/stateout.h
+include/util/state/translate.h
+include/util/misc/LIBS.h
+include/util/misc/bug.h
+include/util/misc/comptmpl.h
+include/util/misc/compute.h
+include/util/misc/exenv.h
+include/util/misc/formio.h
+include/util/misc/ieee.h
+include/util/misc/newstring.h
+include/util/misc/regtime.h
+include/util/misc/scint.h
+include/util/misc/timer.h
+include/util/misc/units.h
+include/util/keyval/LIBS.h
+include/util/keyval/ipv2.h
+include/util/keyval/ipv2_parse.h
+include/util/keyval/ipv2_scan.h
+include/util/keyval/keyval.h
+include/util/keyval/keyvaldefs.h
+include/util/keyval/keyvalval.h
+include/util/group/LIBS.h
+include/util/group/globcnt.h
+include/util/group/hcube.h
+include/util/group/linkage.h
+include/util/group/memamsg.h
+include/util/group/memiter.h
+include/util/group/memmsg.h
+include/util/group/memmtmpi.h
+include/util/group/memory.h
+include/util/group/memproc.h
+include/util/group/memshm.h
+include/util/group/message.h
+include/util/group/messaget.h
+include/util/group/messmpi.h
+include/util/group/messshm.h
+include/util/group/mstate.h
+include/util/group/pool.h
+include/util/group/pregtime.h
+include/util/group/rnglock.h
+include/util/group/thpthd.h
+include/util/group/thpuma.h
+include/util/group/thread.h
+include/util/group/topology.h
+include/util/render/LIBS.h
+include/util/render/algebra3.h
+include/util/render/animate.h
+include/util/render/appearance.h
+include/util/render/color.h
+include/util/render/find.h
+include/util/render/linkage.h
+include/util/render/material.h
+include/util/render/object.h
+include/util/render/oogl.h
+include/util/render/parameter.h
+include/util/render/polygons.h
+include/util/render/polylines.h
+include/util/render/polysphere.h
+include/util/render/render.h
+include/util/render/sphere.h
+include/util/render/stack.h
+include/util/render/transform.h
+include/math/linpackd/LIBS.h
+include/math/linpackd/linpackd.h
+include/math/scmat/LIBS.h
+include/math/scmat/abstract.h
+include/math/scmat/blkiter.h
+include/math/scmat/block.h
+include/math/scmat/blocked.h
+include/math/scmat/cmatrix.h
+include/math/scmat/dim.h
+include/math/scmat/dist.h
+include/math/scmat/disthql.h
+include/math/scmat/elemop.h
+include/math/scmat/f77sym.h
+include/math/scmat/linkage.h
+include/math/scmat/local.h
+include/math/scmat/matrix.h
+include/math/scmat/matrix3.h
+include/math/scmat/matrix_i.h
+include/math/scmat/mops.h
+include/math/scmat/offset.h
+include/math/scmat/repl.h
+include/math/scmat/result.h
+include/math/scmat/vector3.h
+include/math/scmat/vector3_i.h
+include/math/optimize/LIBS.h
+include/math/optimize/conv.h
+include/math/optimize/diis.h
+include/math/optimize/efc.h
+include/math/optimize/function.h
+include/math/optimize/gdiis.h
+include/math/optimize/linkage.h
+include/math/optimize/newton.h
+include/math/optimize/opt.h
+include/math/optimize/qnewton.h
+include/math/optimize/scextrap.h
+include/math/optimize/scextrapmat.h
+include/math/optimize/steep.h
+include/math/optimize/transform.h
+include/math/optimize/update.h
+include/math/isosurf/LIBS.h
+include/math/isosurf/edge.h
+include/math/isosurf/edgedefs.h
+include/math/isosurf/implicit.h
+include/math/isosurf/isosurf.h
+include/math/isosurf/shape.h
+include/math/isosurf/surf.h
+include/math/isosurf/triangle.h
+include/math/isosurf/tricoef.h
+include/math/isosurf/vertex.h
+include/math/isosurf/volume.h
+include/math/isosurf/volume_i.h
+include/math/symmetry/LIBS.h
+include/math/symmetry/corrtab.h
+include/math/symmetry/pointgrp.h
+include/chemistry/molecule/LIBS.h
+include/chemistry/molecule/atominfo.h
+include/chemistry/molecule/coor.h
+include/chemistry/molecule/energy.h
+include/chemistry/molecule/fdhess.h
+include/chemistry/molecule/formula.h
+include/chemistry/molecule/hess.h
+include/chemistry/molecule/linkage.h
+include/chemistry/molecule/localdef.h
+include/chemistry/molecule/molecule.h
+include/chemistry/molecule/molfreq.h
+include/chemistry/molecule/molrender.h
+include/chemistry/molecule/molshape.h
+include/chemistry/molecule/simple.h
+include/chemistry/molecule/taylor.h
+include/chemistry/solvent/LIBS.h
+include/chemistry/solvent/bem.h
+include/chemistry/qc/basis/LIBS.h
+include/chemistry/qc/basis/basis.h
+include/chemistry/qc/basis/cartiter.h
+include/chemistry/qc/basis/dercent.h
+include/chemistry/qc/basis/extent.h
+include/chemistry/qc/basis/f77sym.h
+include/chemistry/qc/basis/files.h
+include/chemistry/qc/basis/gaussbas.h
+include/chemistry/qc/basis/gaussshell.h
+include/chemistry/qc/basis/integral.h
+include/chemistry/qc/basis/obint.h
+include/chemistry/qc/basis/petite.h
+include/chemistry/qc/basis/shellrot.h
+include/chemistry/qc/basis/sobasis.h
+include/chemistry/qc/basis/sointegral.h
+include/chemistry/qc/basis/symmint.h
+include/chemistry/qc/basis/tbint.h
+include/chemistry/qc/basis/transform.h
+include/chemistry/qc/oint3/LIBS.h
+include/chemistry/qc/oint3/build.h
+include/chemistry/qc/intv3/LIBS.h
+include/chemistry/qc/intv3/array.h
+include/chemistry/qc/intv3/cartitv3.h
+include/chemistry/qc/intv3/fjt.h
+include/chemistry/qc/intv3/flags.h
+include/chemistry/qc/intv3/int1e.h
+include/chemistry/qc/intv3/int2e.h
+include/chemistry/qc/intv3/intv3.h
+include/chemistry/qc/intv3/macros.h
+include/chemistry/qc/intv3/obintv3.h
+include/chemistry/qc/intv3/storage.h
+include/chemistry/qc/intv3/tbintv3.h
+include/chemistry/qc/intv3/tformv3.h
+include/chemistry/qc/intv3/types.h
+include/chemistry/qc/intv3/utils.h
+include/chemistry/qc/wfn/LIBS.h
+include/chemistry/qc/wfn/accum.h
+include/chemistry/qc/wfn/density.h
+include/chemistry/qc/wfn/eht.h
+include/chemistry/qc/wfn/linkage.h
+include/chemistry/qc/wfn/obwfn.h
+include/chemistry/qc/wfn/orbital.h
+include/chemistry/qc/wfn/solvent.h
+include/chemistry/qc/wfn/wfn.h
+include/chemistry/qc/scf/LIBS.h
+include/chemistry/qc/scf/clhf.h
+include/chemistry/qc/scf/clhftmpl.h
+include/chemistry/qc/scf/clscf.h
+include/chemistry/qc/scf/effh.h
+include/chemistry/qc/scf/gbuild.h
+include/chemistry/qc/scf/hsoshf.h
+include/chemistry/qc/scf/hsoshftmpl.h
+include/chemistry/qc/scf/hsosscf.h
+include/chemistry/qc/scf/lbgbuild.h
+include/chemistry/qc/scf/lgbuild.h
+include/chemistry/qc/scf/linkage.h
+include/chemistry/qc/scf/ltbgrad.h
+include/chemistry/qc/scf/osshf.h
+include/chemistry/qc/scf/osshftmpl.h
+include/chemistry/qc/scf/ossscf.h
+include/chemistry/qc/scf/scf.h
+include/chemistry/qc/scf/scflocal.h
+include/chemistry/qc/scf/scfops.h
+include/chemistry/qc/scf/tbgrad.h
+include/chemistry/qc/scf/tchf.h
+include/chemistry/qc/scf/tchftmpl.h
+include/chemistry/qc/scf/tcscf.h
+include/chemistry/qc/scf/uhf.h
+include/chemistry/qc/scf/uhftmpl.h
+include/chemistry/qc/scf/uscf.h
+include/chemistry/qc/dft/LIBS.h
+include/chemistry/qc/dft/clks.h
+include/chemistry/qc/dft/clkstmpl.h
+include/chemistry/qc/dft/functional.h
+include/chemistry/qc/dft/hsosks.h
+include/chemistry/qc/dft/hsoskstmpl.h
+include/chemistry/qc/dft/integrator.h
+include/chemistry/qc/dft/linkage.h
+include/chemistry/qc/dft/uks.h
+include/chemistry/qc/dft/ukstmpl.h
+include/chemistry/qc/mbpt/LIBS.h
+include/chemistry/qc/mbpt/bzerofast.h
+include/chemistry/qc/mbpt/csgrad34qb.h
+include/chemistry/qc/mbpt/csgrade12.h
+include/chemistry/qc/mbpt/csgrads2pdm.h
+include/chemistry/qc/mbpt/distsh.h
+include/chemistry/qc/mbpt/hsosv1e1.h
+include/chemistry/qc/mbpt/linkage.h
+include/chemistry/qc/mbpt/mbpt.h
+include/chemistry/qc/mbpt/mp2extrap.h
+include/chemistry/qc/mbpt/util.h
+include/chemistry/qc/psi/LIBS.h
+include/chemistry/qc/psi/linkage.h
+include/chemistry/qc/psi/psiexenv.h
+include/chemistry/qc/psi/psifile11.h
+include/chemistry/qc/psi/psiinput.h
+include/chemistry/qc/psi/psiwfn.h
+include/scconfig.h
+include/scdirlist.h
+@dirrm include/util/state
+@dirrm include/util/render
+@dirrm include/util/ref
+@dirrm include/util/options
+@dirrm include/util/misc
+@dirrm include/util/keyval
+@dirrm include/util/group
+@dirrm include/util/container
+@dirrm include/util/class
+@dirrm include/util
+@dirrm include/math/symmetry
+@dirrm include/math/scmat
+@dirrm include/math/optimize
+@dirrm include/math/linpackd
+@dirrm include/math/isosurf
+@dirrm include/math
+@dirrm include/chemistry/solvent
+@dirrm include/chemistry/qc/wfn
+@dirrm include/chemistry/qc/scf
+@dirrm include/chemistry/qc/psi
+@dirrm include/chemistry/qc/oint3
+@dirrm include/chemistry/qc/mbpt
+@dirrm include/chemistry/qc/intv3
+@dirrm include/chemistry/qc/dft
+@dirrm include/chemistry/qc/basis
+@dirrm include/chemistry/qc
+@dirrm include/chemistry/molecule
+@dirrm include/chemistry
 lib/libSCbasis.a
 lib/libSCclass.a
 lib/libSCcontainer.a
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