Stage science/mpqc and science/mpqc-mpich

 * reset maintainer
 * converted to options instead of WITH_* knobs
 * moved files/manpages to pkgplist
 * USES+= libtool
 * modernize

5 files changed, 786 insertions, 791 deletions

diff --git a/science/mpqc-mpich/Makefile b/science/mpqc-mpich/Makefile
index 7e3ffdf01836..f03aa78634ef 100644
--- a/science/mpqc-mpich/Makefile
+++ b/science/mpqc-mpich/Makefile
@@ -7,5 +7,4 @@ PKGNAMESUFFIX=	-mpich
 
 WITH_MPICH=	yes
 
-NO_STAGE=	yes
 .include "${MASTERDIR}/Makefile"
diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index dc718d6d87c1..304c9b4f4fce 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -3,30 +3,59 @@
 
 PORTNAME=	mpqc
 PORTVERSION=	2.3.1
-PORTREVISION=	21
+PORTREVISION=	22
 CATEGORIES=	science parallel
 MASTER_SITES=	SF
 
-MAINTAINER=	maho@FreeBSD.org
-COMMENT=	The massively parallel quantum computing library and program
+MAINTAINER=	ports@FreeBSD.org
+COMMENT=	Massively Parallel Quantum Computing library and program
+
+LIB_DEPENDS=	libint.so:${PORTSDIR}/science/libint
 
 GNU_CONFIGURE=	yes
-USES=		fortran gmake perl5 tar:bzip2
+USES=		fortran gmake libtool perl5 tar:bzip2
 USE_AUTOTOOLS=	autoconf
 USE_LDCONFIG=	yes
+MPQC_COMMAND=	${PREFIX}/bin/mpqc
 
-OPTIONS_DEFINE=	DOCS
+CONFIGURE_ARGS+=--with-cc=${CC} \
+		--with-cxx=${CXX} \
+		--with-f77=${FC} \
+		--with-include="-I${WRKDIR} -I${LOCALBASE}/include" \
+		--with-libdirs="-L${LOCALBASE}/lib ${LDFLAGS}" \
+		--with-blas="${BLAS}" \
+		--with-lapack="${LAPACK}" \
+		--with-coptflags="${CFLAGS}" \
+		--with-cxxoptflags="${CXXFLAGS}" \
+		--with-f77optflags="${FFLAGS}" \
+		--enable-shared \
+		--with-sc-datadir=${PREFIX}/share/mpqc/${PORTVERSION}
 
-NO_STAGE=	yes
-.include <bsd.port.pre.mk>
+OPTIONS_DEFINE=		DOCS ATLAS ICC MPICH OPTIFLAGS
+OPTIONS_DEFAULT=	DOCS
+OPTIONS_SUB=		DOCS
 
-.if defined(WITH_ICC)
-BUILD_DEPENDS+=	${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
-.endif
-.if exists(${LOCALBASE}/lib/libatlas.so) && !defined(WITH_BLAS)
-WITH_ATLAS=	yes
+ICC_DESC=		Build with ICC compiler instead
+ATLAS_DESC=		Link with ATLAS instead of BLAS
+DOCS_DESC=		Generate html docs and manpages (heavy dependencies)
+MPICH_DESC=		Message-Passing Interface support
+OPTIFLAGS_DESC=		Build with optimized flags
+
+ICC_BUILD_DEPENDS=	${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
+MPICH_LIB_DEPENDS=	libmpich.so:${PORTSDIR}/net/mpich2
+DOCS_BUILD_DEPENDS=	doxygen:${PORTSDIR}/devel/doxygen \
+			dot:${PORTSDIR}/graphics/graphviz \
+			${LOCALBASE}/bin/gsed:${PORTSDIR}/textproc/gsed
+DOCS_USES=		execinfo
+DOCS_USE=		TEX=latex:build
+
+.if defined(WITH_MPICH)
+OPTIONS_DEFAULT+=	MPICH
 .endif
-.if defined(WITH_ATLAS)
+
+.include <bsd.port.options.mk>
+
+.if ${PORT_OPTIONS:MATLAS}
 LIB_DEPENDS+=	libatlas.so:${PORTSDIR}/math/atlas
 BLAS=		-lf77blas
 LAPACK=		-lalapack -lcblas
@@ -36,93 +65,64 @@ LIB_DEPENDS+=	liblapack.so:${PORTSDIR}/math/lapack
 BLAS=		-lblas
 LAPACK=		-llapack
 .endif
-.if defined(WITH_MPICH)
-LIB_DEPENDS+=	libmpich.so:${PORTSDIR}/net/mpich2
-.endif
-LIB_DEPENDS+=	libint.so:${PORTSDIR}/science/libint
-.if ${PORT_OPTIONS:MDOCS}
-USE_TEX=	latex:build
-BUILD_DEPENDS+=	doxygen:${PORTSDIR}/devel/doxygen
-BUILD_DEPENDS+=	dot:${PORTSDIR}/graphics/graphviz
-BUILD_DEPENDS+=	${LOCALBASE}/bin/gsed:${PORTSDIR}/textproc/gsed
-LIB_DEPENDS+=	libexecinfo.so:${PORTSDIR}/devel/libexecinfo
-.endif
 
-.if defined(WITH_ICC)
+.if ${PORT_OPTIONS:MICC}
 CC=		${LOCALBASE}/intel_cc_80/bin/icc
 CXX=		${LOCALBASE}/intel_cc_80/bin/icpc
 CFLAGS=		-O3 -tpp7 -xMKW -Vaxlib
 CXXFLAGS=	-O3 -tpp7 -xMKW -Vaxlib
-.endif
-
-CONFIGURE_ARGS+=--with-cc=${CC} \
-		--with-cxx=${CXX} \
-		--with-f77=${FC} \
-		--with-include="-I${WRKDIR} -I${LOCALBASE}/include" \
-		--with-libdirs="-L${LOCALBASE}/lib ${LDFLAGS}" \
-		--with-blas="${BLAS}" \
-		--with-lapack="${LAPACK}" \
-		--with-coptflags="${CFLAGS}" \
-		--with-cxxoptflags="${CXXFLAGS}" \
-		--with-f77optflags="${FFLAGS}" \
-		--enable-shared \
-		--with-sc-datadir=${PREFIX}/share/mpqc/${PORTVERSION}
-.if defined(WITH_ICC)
 CONFIGURE_ARGS+=--with-libs="-lsvml"
 .endif
-.if defined(WITH_MPICH)
+
+.if ${PORT_OPTIONS:MMPICH}
 CONFIGURE_ARGS+=--enable-always-use-mpi
 CONFIGURE_ENV+=	PTHREAD_LIBS="${PTHREAD_LIBS}"
 .endif
 
-MPQC_COMMAND=	${PREFIX}/bin/mpqc
-
-.if ${PORT_OPTIONS:MDOCS}
-.include "${FILESDIR}/manpages"
-.endif
-
-.if defined(WITH_OPTIMIZED_FLAGS)
+.if ${PORT_OPTIONS:MOPTIFLAGS}
 CFLAGS+=	-O2 -ffast-math
 CXXFLAGS+=	-O2 -ffast-math
 .endif
 
-pre-configure:
-	@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
-
 do-build:
-	@cd ${WRKSRC} ; ${MAKE_CMD}
+	(cd ${WRKSRC} && ${MAKE_CMD})
 .if ${PORT_OPTIONS:MDOCS}
-	@cd ${WRKSRC}/doc ; ${MAKE_CMD}
+	(cd ${WRKSRC}/doc && ${MAKE_CMD})
+	${RM} ${WRKSRC}/doc/man/man1/_*mpqc_*.1
+	${RM} ${WRKSRC}/doc/man/man3/_*mpqc_*.3
+	${RM} ${WRKSRC}/doc/man/man3/sc_PsiCCSD_T.3*
 .endif
 
 do-install:
-	(cd ${WRKSRC} ; ${MAKE_CMD} install)
-	(cd ${WRKSRC} ; ${MAKE_CMD} install_devel)
-	${MKDIR} ${PREFIX}/share/mpqc/validate
-	cd ${WRKSRC}/src/bin/mpqc/validate/ ; ${TAR} -chf - . | \
-		${TAR} -xf - -C ${PREFIX}/share/mpqc/validate
-	${FIND} ${PREFIX}/share/mpqc/validate | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
-	${FIND} ${PREFIX}/share/mpqc/validate -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
+	${MKDIR} ${STAGEDIR}${PREFIX}/share/mpqc/validate
+	(cd ${WRKSRC} && ${MAKE_CMD} install installroot=${STAGEDIR:Q})
+	(cd ${WRKSRC} && ${MAKE_CMD} install_devel installroot=${STAGEDIR:Q})
+	(cd ${WRKSRC}/src/bin/mpqc/validate && \
+		${COPYTREE_SHARE} . ${STAGEDIR}${PREFIX}/share/mpqc/validate)
+	(cd ${STAGEDIR}${PREFIX}/bin && ${STRIP_CMD} scpr molrender mpqc scls)
+	${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so
 .if ${PORT_OPTIONS:MDOCS}
-	rm -f ${WRKSRC}/doc/man/man1/_*mpqc_*.1
-	rm -f ${WRKSRC}/doc/man/man3/_*mpqc_*.3
-	rm -f ${WRKSRC}/doc/man/man3/sc_PsiCCSD_T.3* #somehow this file is not generated in tinderbox
-	(cd ${WRKSRC}/doc/man/man3 ; ${INSTALL_MAN} *3 ${PREFIX}/man/man3)
-	(cd ${WRKSRC}/doc/man/man1 ; ${INSTALL_MAN} *1 ${PREFIX}/man/man1)
-	${MKDIR} ${DOCSDIR}
-	cd ${WRKSRC}/doc/html ; ${TAR} -chf - . | ${TAR} -xf - -C ${DOCSDIR}
-	${FIND} ${DOCSDIR} | ${XARGS} ${CHOWN} ${SHAREOWN}:${SHAREGRP}
-	${FIND} ${DOCSDIR} -type f | ${XARGS} ${CHMOD} ${SHAREMODE}
-	cd ${PREFIX} ; ${FIND} -s share/doc/${PORTNAME} -type f  >> ${TMPPLIST}
-	cd ${PREFIX} ; ${FIND} -s share/doc/${PORTNAME} -type l  >> ${TMPPLIST}
-	${ECHO_CMD} "@dirrm share/doc/${PORTNAME}" >> ${TMPPLIST}
+	${MKDIR} ${STAGEDIR}${DOCSDIR}
+	(cd ${WRKSRC}/doc/man/man3 && \
+		${INSTALL_MAN} *3 ${STAGEDIR}${MANPREFIX}/man/man3)
+	(cd ${WRKSRC}/doc/man/man1 && \
+		${INSTALL_MAN} *1 ${STAGEDIR}${MANPREFIX}/man/man1)
+	(cd ${WRKSRC}/doc/html && \
+		${COPYTREE_SHARE} . ${STAGEDIR}${DOCSDIR})
+	cd ${STAGEDIR}${PREFIX}; ${FIND} share/doc/mpqc \
+	   \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST}
+	cd ${STAGEDIR}${PREFIX}; ${FIND} share/doc/mpqc -type d | \
+	   ${SORT} -r | ${SED} -e 's/^/@dirrm /g' >> ${TMPPLIST}
 .endif
-	cd ${PREFIX} ; ${FIND} -s share/mpqc -type f  >> ${TMPPLIST}
-	cd ${PREFIX} ; ${FIND} -s share/mpqc -type l  >> ${TMPPLIST}
-	cd ${PREFIX} ; ${FIND} -s share/mpqc -type d > ${WRKDIR}/dir.tmp
-	${SORT} -r ${WRKDIR}/dir.tmp | ${XARGS} -n 1 ${ECHO_CMD} @dirrm >> ${TMPPLIST}
+	cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc \
+	   \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST}
+	cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc -type d | ${SORT} -r | \
+	   ${SED} -e 's/^/@dirrm /g' >> ${TMPPLIST}
 
 validate:
-	cd ${WRKSRC}/src/bin/mpqc/validate ; ${MAKE_CMD} check0 ; ${MAKE_CMD} check0_run ; ${MAKE_CMD} check0_chk
+	(cd ${WRKSRC}/src/bin/mpqc/validate && \
+		${MAKE_CMD} check0 && \
+		${MAKE_CMD} check0_run && \
+		${MAKE_CMD} check0_chk)
 
-.include <bsd.port.post.mk>
+.include <bsd.port.mk>
diff --git a/science/mpqc/files/manpages b/science/mpqc/files/manpages
deleted file mode 100644
index 834fb154be29..000000000000
--- a/science/mpqc/files/manpages
+++ /dev/null
@@ -1,650 +0,0 @@
-MAN1= \
-mpqc.1 \
-mpqcrun.1 \
-scls.1 \
-scpr.1 \
-molrender.1 \
-sc-config.1 \
-sc-libtool.1 \
-sc-mkf77sym.1
-
-MAN3= \
-sc_AtomInfo.3 \
-sc_IntCoor.3 \
-sc_SumIntCoor.3 \
-sc_SetIntCoor.3 \
-sc_IntCoorGen.3 \
-sc_MolecularCoor.3 \
-sc_IntMolecularCoor.3 \
-sc_SymmMolecularCoor.3 \
-sc_RedundMolecularCoor.3 \
-sc_CartMolecularCoor.3 \
-sc_MolecularEnergy.3 \
-sc_FinDispMolecularHessian.3 \
-sc_MolecularFormula.3 \
-sc_MolecularHessian.3 \
-sc_ReadMolecularHessian.3 \
-sc_GuessMolecularHessian.3 \
-sc_DiagMolecularHessian.3 \
-sc_Molecule.3 \
-sc_MolecularFrequencies.3 \
-sc_VDWShape.3 \
-sc_DiscreteConnollyShape.3 \
-sc_ConnollyShape.3 \
-sc_SimpleCo.3 \
-sc_StreSimpleCo.3 \
-sc_BendSimpleCo.3 \
-sc_TorsSimpleCo.3 \
-sc_ScaledTorsSimpleCo.3 \
-sc_LinIPSimpleCo.3 \
-sc_LinOPSimpleCo.3 \
-sc_CartesianIter.3 \
-sc_RedundantCartesianIter.3 \
-sc_RedundantCartesianSubIter.3 \
-sc_DerivCenters.3 \
-sc_DistShellPair.3 \
-sc_DistShellPair_SharedData.3 \
-sc_GaussianBasisSet.3 \
-sc_GaussianBasisSet_ValueData.3 \
-sc_GaussianShell.3 \
-sc_canonical_aaaa.3 \
-sc_canonical_aabc.3 \
-sc_canonical_aabb.3 \
-sc_canonical_abcd.3 \
-sc_GenPetite4.3 \
-sc_GPetite4.3 \
-sc_Integral.3 \
-sc_OneBodyInt.3 \
-sc_OneBodyOneCenterInt.3 \
-sc_OneBodyDerivInt.3 \
-sc_OneBodyOneCenterDerivInt.3 \
-sc_OverlapOrthog.3 \
-sc_ShellRotation.3 \
-sc_SOTransformFunction.3 \
-sc_SOTransformShell.3 \
-sc_SOTransform.3 \
-sc_SOBasis.3 \
-sc_TwoBodyInt.3 \
-sc_TwoBodyThreeCenterInt.3 \
-sc_TwoBodyTwoCenterInt.3 \
-sc_TwoBodyDerivInt.3 \
-sc_TwoBodyThreeCenterDerivInt.3 \
-sc_TwoBodyTwoCenterDerivInt.3 \
-sc_SphericalTransformComponent.3 \
-sc_SphericalTransform.3 \
-sc_ISphericalTransform.3 \
-sc_SphericalTransformIter.3 \
-sc_IntegralCints.3 \
-sc_EriCints.3 \
-sc_GRTCints.3 \
-sc_Int1eCints.3 \
-sc_Int2eCints.3 \
-sc_OneBodyIntCints.3 \
-sc_PrimPairsCints.3 \
-sc_ShellPairCints.3 \
-sc_ShellPairsCints.3 \
-sc_TwoBodyIntCints.3 \
-sc_TwoBodyDerivIntCints.3 \
-sc_CLKS.3 \
-sc_PointInputData.3 \
-sc_PointOutputData.3 \
-sc_DenFunctional.3 \
-sc_NElFunctional.3 \
-sc_SumDenFunctional.3 \
-sc_StdDenFunctional.3 \
-sc_LSDACFunctional.3 \
-sc_PBECFunctional.3 \
-sc_PW91CFunctional.3 \
-sc_P86CFunctional.3 \
-sc_SlaterXFunctional.3 \
-sc_VWNLCFunctional.3 \
-sc_VWN1LCFunctional.3 \
-sc_VWN2LCFunctional.3 \
-sc_VWN3LCFunctional.3 \
-sc_VWN4LCFunctional.3 \
-sc_VWN5LCFunctional.3 \
-sc_PW92LCFunctional.3 \
-sc_PZ81LCFunctional.3 \
-sc_XalphaFunctional.3 \
-sc_Becke88XFunctional.3 \
-sc_LYPCFunctional.3 \
-sc_PW86XFunctional.3 \
-sc_PBEXFunctional.3 \
-sc_PW91XFunctional.3 \
-sc_mPW91XFunctional.3 \
-sc_G96XFunctional.3 \
-sc_HSOSKS.3 \
-sc_DenIntegrator.3 \
-sc_IntegrationWeight.3 \
-sc_BeckeIntegrationWeight.3 \
-sc_RadialIntegrator.3 \
-sc_AngularIntegrator.3 \
-sc_EulerMaclaurinRadialIntegrator.3 \
-sc_LebedevLaikovIntegrator.3 \
-sc_GaussLegendreAngularIntegrator.3 \
-sc_RadialAngularIntegrator.3 \
-sc_UKS.3 \
-sc_Int1eCCA.3 \
-sc_Int2eCCA.3 \
-sc_IntegralCCA.3 \
-sc_OneBodyIntCCA.3 \
-sc_OneBodyDerivIntCCA.3 \
-sc_TwoBodyIntCCA.3 \
-sc_TwoBodyDerivIntCCA.3 \
-sc_Int1eV3.3 \
-sc_Int2eV3.3 \
-sc_IntegralV3.3 \
-sc_OneBodyIntV3.3 \
-sc_OneBodyDerivIntV3.3 \
-sc_TwoBodyIntV3.3 \
-sc_TwoBodyThreeCenterIntV3.3 \
-sc_TwoBodyTwoCenterIntV3.3 \
-sc_TwoBodyDerivIntV3.3 \
-sc_MBPT2.3 \
-sc_MBPT2_R12.3 \
-sc_MOIndexSpace.3 \
-sc_MP2R12Energy.3 \
-sc_MOPairIter.3 \
-sc_SpatialMOPairIter.3 \
-sc_SpatialMOPairIter_eq.3 \
-sc_SpatialMOPairIter_neq.3 \
-sc_MOPairIterFactory.3 \
-sc_R12Amplitudes.3 \
-sc_R12IntsAcc.3 \
-sc_R12IntEval.3 \
-sc_MOIntsTransformFactory.3 \
-sc_TwoBodyMOIntsTransform_ijxy.3 \
-sc_TwoBodyMOIntsTransform_ikjy.3 \
-sc_TwoBodyMOIntsTransform_ixjy.3 \
-sc_TwoBodyGrid.3 \
-sc_TwoBodyMOIntsTransform.3 \
-sc_TwoBodyMOIntsTransform_MOSpaces.3 \
-sc_R12IntEvalInfo.3 \
-sc_PsiExEnv.3 \
-sc_PsiFile11.3 \
-sc_PsiInput.3 \
-sc_PsiWavefunction.3 \
-sc_PsiSCF.3 \
-sc_PsiCLHF.3 \
-sc_PsiHSOSHF.3 \
-sc_PsiUHF.3 \
-sc_PsiCCSD.3 \
-sc_CLHF.3 \
-sc_CLSCF.3 \
-sc_HSOSHF.3 \
-sc_HSOSSCF.3 \
-sc_SCF.3 \
-sc_UHF.3 \
-sc_UnrestrictedSCF.3 \
-sc_ElectronDensity.3 \
-sc_BatchElectronDensity.3 \
-sc_OneBodyWavefunction.3 \
-sc_Wavefunction.3 \
-sc_Shape.3 \
-sc_UnionShape.3 \
-sc_Volume.3 \
-sc_Convergence.3 \
-sc_DIIS.3 \
-sc_EFCOpt.3 \
-sc_Function.3 \
-sc_MCSearch.3 \
-sc_Optimize.3 \
-sc_LineOpt.3 \
-sc_QNewtonOpt.3 \
-sc_SCExtrapData.3 \
-sc_SCExtrapError.3 \
-sc_SelfConsistentExtrapolation.3 \
-sc_HessianUpdate.3 \
-sc_NonlinearTransform.3 \
-sc_IdentityTransform.3 \
-sc_DFPUpdate.3 \
-sc_BFGSUpdate.3 \
-sc_PowellUpdate.3 \
-sc_SCMatrixKit.3 \
-sc_SCVector.3 \
-sc_SCMatrix.3 \
-sc_SymmSCMatrix.3 \
-sc_DiagSCMatrix.3 \
-sc_SCMatrixBlockIter.3 \
-sc_SCMatrixBlock.3 \
-sc_SCVectorSimpleBlock.3 \
-sc_SCVectorSimpleSubBlock.3 \
-sc_SCMatrixRectBlock.3 \
-sc_SCMatrixRectSubBlock.3 \
-sc_SCMatrixLTriBlock.3 \
-sc_SCMatrixLTriSubBlock.3 \
-sc_SCMatrixDiagBlock.3 \
-sc_SCMatrixDiagSubBlock.3 \
-sc_SCMatrixSubblockIter.3 \
-sc_SCBlockInfo.3 \
-sc_SCDimension.3 \
-sc_RefSCDimension.3 \
-sc_DistSCMatrixKit.3 \
-sc_SCElementOp.3 \
-sc_SCElementOp2.3 \
-sc_SCElementOp3.3 \
-sc_SCElementKNorm.3 \
-sc_LocalSCMatrixKit.3 \
-sc_RefSCVector.3 \
-sc_RefSCMatrix.3 \
-sc_RefSymmSCMatrix.3 \
-sc_SymRep.3 \
-sc_RefDiagSCMatrix.3 \
-sc_ReplSCMatrixKit.3 \
-sc_CorrelationTable.3 \
-sc_SymmetryOperation.3 \
-sc_IrreducibleRepresentation.3 \
-sc_CharacterTable.3 \
-sc_PointGroup.3 \
-sc_ParentClass.3 \
-sc_ParentClasses.3 \
-sc_ClassDesc.3 \
-sc_DescribedClass.3 \
-sc_ForceLinkBase.3 \
-sc_ForceLink.3 \
-sc_SCException.3 \
-sc_ProgrammingError.3 \
-sc_FeatureNotImplemented.3 \
-sc_InputError.3 \
-sc_SystemException.3 \
-sc_MemAllocFailed.3 \
-sc_FileOperationFailed.3 \
-sc_SyscallFailed.3 \
-sc_AlgorithmException.3 \
-sc_MaxIterExceeded.3 \
-sc_ToleranceExceeded.3 \
-sc_LimitExceeded.3 \
-sc_FileGrp.3 \
-sc_ProcFileGrp.3 \
-sc_ActiveMsgMemoryGrp.3 \
-sc_ARMCIMemoryGrp.3 \
-sc_MsgMemoryGrp.3 \
-sc_MTMPIMemoryGrp.3 \
-sc_MemoryGrp.3 \
-sc_MemoryGrpBuf.3 \
-sc_ProcMemoryGrp.3 \
-sc_RDMAMemoryGrp.3 \
-sc_ShmMemoryGrp.3 \
-sc_MessageGrp.3 \
-sc_ProcMessageGrp.3 \
-sc_intMessageGrp.3 \
-sc_MPIMessageGrp.3 \
-sc_ShmMessageGrp.3 \
-sc_MsgStateSend.3 \
-sc_MsgStateBufRecv.3 \
-sc_MsgStateRecv.3 \
-sc_StateSend.3 \
-sc_StateRecv.3 \
-sc_BcastStateSend.3 \
-sc_BcastStateRecv.3 \
-sc_BcastState.3 \
-sc_BcastStateInBin.3 \
-sc_PthreadThreadGrp.3 \
-sc_PumaThreadGrp.3 \
-sc_ThreadLock.3 \
-sc_ThreadLockHolder.3 \
-sc_Thread.3 \
-sc_ThreadGrp.3 \
-sc_ProcThreadGrp.3 \
-sc_KeyVal.3 \
-sc_AssignedKeyVal.3 \
-sc_StringKeyVal.3 \
-sc_AggregateKeyVal.3 \
-sc_PrefixKeyVal.3 \
-sc_ParsedKeyVal.3 \
-sc_auto_vec.3 \
-sc_Debugger.3 \
-sc_CCAEnv.3 \
-sc_Result.3 \
-sc_NCResult.3 \
-sc_AccResult.3 \
-sc_SSAccResult.3 \
-sc_NCAccResult.3 \
-sc_Compute.3 \
-sc_ResultInfo.3 \
-sc_AccResultInfo.3 \
-sc_ExEnv.3 \
-sc_SCFormIO.3 \
-sc_scprintf.3 \
-sc_RegionTimer.3 \
-sc_Timer.3 \
-sc_Units.3 \
-sc_Identifier.3 \
-sc_Identity.3 \
-sc_RefCount.3 \
-sc_RefBase.3 \
-sc_Ref.3 \
-sc_SavableStateProxy.3 \
-sc_SavableState.3 \
-sc_StateOutBin.3 \
-sc_StateInBin.3 \
-sc_StateOutFile.3 \
-sc_StateInFile.3 \
-sc_StateOutText.3 \
-sc_StateInText.3 \
-sc_StateIn.3 \
-sc_StateOut.3 \
-sc_TranslateData.3 \
-sc_TranslateDataByteSwap.3 \
-sc_TranslateDataOut.3 \
-sc_TranslateDataIn.3 \
-LocalHSOSContribution.3 \
-LocalHSOSEnergyContribution.3 \
-LocalHSOSGradContribution.3 \
-MPQC_CartesianIterCCA.3 \
-TCPClientConnection.3 \
-TCPIOSocket.3 \
-TCPServerConnection.3 \
-TCPServerSocket.3 \
-TCPSocket.3 \
-Taylor_Fjt_Eval.3 \
-YYSTYPE.3 \
-errno_exception.3 \
-point.3 \
-sc_ALevelShift.3 \
-sc_AVLMap.3 \
-sc_AVLMapNode.3 \
-sc_AVLMap_iterator.3 \
-sc_AVLSet.3 \
-sc_AVLSet_iterator.3 \
-sc_AccumEffectiveH.3 \
-sc_AccumH.3 \
-sc_AccumHNull.3 \
-sc_AnimatedObject.3 \
-sc_Appearance.3 \
-sc_AtomProximityColorizer.3 \
-sc_BEMSolvent.3 \
-sc_BEMSolventH.3 \
-sc_BLevelShift.3 \
-sc_Backtrack.3 \
-sc_BasisFileSet.3 \
-sc_BiggestContribs.3 \
-sc_BitArrayLTri.3 \
-sc_BlockedDiagSCMatrix.3 \
-sc_BlockedSCElementOp.3 \
-sc_BlockedSCElementOp2.3 \
-sc_BlockedSCElementOp3.3 \
-sc_BlockedSCMatrix.3 \
-sc_BlockedSCMatrixKit.3 \
-sc_BlockedSCVector.3 \
-sc_BlockedSymmSCMatrix.3 \
-sc_BuildIntV3.3 \
-sc_CS2Sphere.3 \
-sc_CSGrad34Qbtr.3 \
-sc_CSGradErep12Qtr.3 \
-sc_CSGradS2PDM.3 \
-sc_CartesianIterCCA.3 \
-sc_CartesianIterCints.3 \
-sc_CartesianIterV3.3 \
-sc_Color.3 \
-sc_DensityColorizer.3 \
-sc_DescribedClassProxy.3 \
-sc_DescribedMemberDatum.3 \
-sc_DiagSCMatrixdouble.3 \
-sc_DipoleData.3 \
-sc_DipoleIntV3.3 \
-sc_DistDiagSCMatrix.3 \
-sc_DistSCMatrix.3 \
-sc_DistSCMatrixListSubblockIter.3 \
-sc_DistSCVector.3 \
-sc_DistSymmSCMatrix.3 \
-sc_EAVLMMap.3 \
-sc_EAVLMMapNode.3 \
-sc_EAVLMMap_iterator.3 \
-sc_Edge.3 \
-sc_EfieldDotVectorData.3 \
-sc_EfieldDotVectorIntV3.3 \
-sc_ExtendedHuckelWfn.3 \
-sc_ExtentData.3 \
-sc_FJT.3 \
-sc_FileRender.3 \
-sc_FreeData.3 \
-sc_GBuild.3 \
-sc_GDIISOpt.3 \
-sc_GSGeneralEffH.3 \
-sc_GSHighSpinEffH.3 \
-sc_GaussTriangleIntegrator.3 \
-sc_GetLongOpt.3 \
-sc_GlobalCounter.3 \
-sc_GlobalMsgIter.3 \
-sc_GradDensityColorizer.3 \
-sc_GrpArithmeticAndReduce.3 \
-sc_GrpArithmeticOrReduce.3 \
-sc_GrpArithmeticXOrReduce.3 \
-sc_GrpFunctionReduce.3 \
-sc_GrpMaxReduce.3 \
-sc_GrpMinReduce.3 \
-sc_GrpProductReduce.3 \
-sc_GrpReduce.3 \
-sc_GrpSumReduce.3 \
-sc_HCoreWfn.3 \
-sc_HSOSV1Erep1Qtr.3 \
-sc_HypercubeGMI.3 \
-sc_HypercubeTopology.3 \
-sc_IPV2.3 \
-sc_ISphericalTransformCCA.3 \
-sc_ISphericalTransformCints.3 \
-sc_ISphericalTransformV3.3 \
-sc_ImplicitSurfacePolygonizer.3 \
-sc_Int2eV3_store_list.3 \
-sc_IntV3Arraydouble2.3 \
-sc_IntV3Arraydouble3.3 \
-sc_IntV3Arraydoublep2.3 \
-sc_IntV3Arraydoublep3.3 \
-sc_IntV3Arraydoublep4.3 \
-sc_IntV3Arrayint3.3 \
-sc_IntV3Arrayint4.3 \
-sc_IntegralKey.3 \
-sc_IntegralLink.3 \
-sc_IntegralStorer.3 \
-sc_IsosurfaceGen.3 \
-sc_KeyValValue.3 \
-sc_KeyValValueRefDescribedClass.3 \
-sc_KeyValValueString.3 \
-sc_KeyValValueboolean.3 \
-sc_KeyValValuechar.3 \
-sc_KeyValValuedouble.3 \
-sc_KeyValValuefloat.3 \
-sc_KeyValValueint.3 \
-sc_KeyValValuepchar.3 \
-sc_KeyValValuesize.3 \
-sc_KeyValValuestring.3 \
-sc_LevelShift.3 \
-sc_LibintStaticInterface.3 \
-sc_Libr12StaticInterface.3 \
-sc_LocalCLHFContribution.3 \
-sc_LocalCLHFEnergyContribution.3 \
-sc_LocalCLHFGradContribution.3 \
-sc_LocalCLKSContribution.3 \
-sc_LocalCLKSEnergyContribution.3 \
-sc_LocalDiagSCMatrix.3 \
-sc_LocalGBuild.3 \
-sc_LocalHSOSKSContribution.3 \
-sc_LocalHSOSKSEnergyContribution.3 \
-sc_LocalLBGBuild.3 \
-sc_LocalOSSContribution.3 \
-sc_LocalOSSEnergyContribution.3 \
-sc_LocalOSSGradContribution.3 \
-sc_LocalSCMatrix.3 \
-sc_LocalSCVector.3 \
-sc_LocalSymmSCMatrix.3 \
-sc_LocalTBGrad.3 \
-sc_LocalTCContribution.3 \
-sc_LocalTCEnergyContribution.3 \
-sc_LocalTCGradContribution.3 \
-sc_LocalUHFContribution.3 \
-sc_LocalUHFEnergyContribution.3 \
-sc_LocalUHFGradContribution.3 \
-sc_LocalUKSContribution.3 \
-sc_LocalUKSEnergyContribution.3 \
-sc_MOLagrangian.3 \
-sc_MP2BasisExtrap.3 \
-sc_MachineTopology.3 \
-sc_Material.3 \
-sc_MemoryDataRequest.3 \
-sc_MemoryDataRequestQueue.3 \
-sc_MemoryIter.3 \
-sc_MolEnergyConvergence.3 \
-sc_MolFreqAnimate.3 \
-sc_MoleculeColorizer.3 \
-sc_NewP86CFunctional.3 \
-sc_NewtonOpt.3 \
-sc_NonreentrantUncappedTorusHoleShape.3 \
-sc_OOGLRender.3 \
-sc_OSSHF.3 \
-sc_OSSSCF.3 \
-sc_OneBody3IntOp.3 \
-sc_OneBodyIntIter.3 \
-sc_OneBodyIntOp.3 \
-sc_OneBodyOneCenterWrapper.3 \
-sc_OneBodySOInt.3 \
-sc_Orbital.3 \
-sc_OutSimpleCo.3 \
-sc_ParallelRegionTimer.3 \
-sc_Parameter.3 \
-sc_PetiteList.3 \
-sc_PointChargeData.3 \
-sc_PointChargeIntV3.3 \
-sc_PointInputData_SpinData.3 \
-sc_Pool.3 \
-sc_PoolData.3 \
-sc_PsiEffH.3 \
-sc_R12IntsAcc_MPIIOFile.3 \
-sc_R12IntsAcc_MPIIOFile_Ind.3 \
-sc_R12IntsAcc_MPIIOFile_PairBlkInfo.3 \
-sc_R12IntsAcc_MemoryGrp.3 \
-sc_R12IntsAcc_Node0File.3 \
-sc_RangeLock.3 \
-sc_RangeLockItem.3 \
-sc_RedundantCartesianIterCCA.3 \
-sc_RedundantCartesianIterCints.3 \
-sc_RedundantCartesianIterV3.3 \
-sc_RedundantCartesianSubIterCCA.3 \
-sc_RedundantCartesianSubIterCints.3 \
-sc_RedundantCartesianSubIterV3.3 \
-sc_ReentrantUncappedTorusHoleShape.3 \
-sc_Render.3 \
-sc_RenderedBallMolecule.3 \
-sc_RenderedMolecularSurface.3 \
-sc_RenderedMolecule.3 \
-sc_RenderedObject.3 \
-sc_RenderedObjectSet.3 \
-sc_RenderedPolygons.3 \
-sc_RenderedPolylines.3 \
-sc_RenderedSphere.3 \
-sc_RenderedStickMolecule.3 \
-sc_ReplDiagSCMatrix.3 \
-sc_ReplSCMatrix.3 \
-sc_ReplSCMatrixListSubblockIter.3 \
-sc_ReplSCVector.3 \
-sc_ReplSymmSCMatrix.3 \
-sc_SCDestructiveElementProduct.3 \
-sc_SCElementAccumulateDiagSCMatrix.3 \
-sc_SCElementAccumulateSCMatrix.3 \
-sc_SCElementAccumulateSCVector.3 \
-sc_SCElementAccumulateSymmSCMatrix.3 \
-sc_SCElementAssign.3 \
-sc_SCElementDot.3 \
-sc_SCElementInvert.3 \
-sc_SCElementMaxAbs.3 \
-sc_SCElementMinAbs.3 \
-sc_SCElementRandomize.3 \
-sc_SCElementScalarProduct.3 \
-sc_SCElementScale.3 \
-sc_SCElementScaleDiagonal.3 \
-sc_SCElementShiftDiagonal.3 \
-sc_SCElementSquareRoot.3 \
-sc_SCElementSumAbs.3 \
-sc_SCFEnergy.3 \
-sc_SCMatrix3.3 \
-sc_SCMatrixBlockList.3 \
-sc_SCMatrixBlockListIter.3 \
-sc_SCMatrixBlockListLink.3 \
-sc_SCMatrixCompositeSubblockIter.3 \
-sc_SCMatrixDiagBlockIter.3 \
-sc_SCMatrixDiagSubBlockIter.3 \
-sc_SCMatrixJointSubblockIter.3 \
-sc_SCMatrixLTriBlockIter.3 \
-sc_SCMatrixLTriSubBlockIter.3 \
-sc_SCMatrixListSubblockIter.3 \
-sc_SCMatrixNullSubblockIter.3 \
-sc_SCMatrixRectBlockIter.3 \
-sc_SCMatrixRectSubBlockIter.3 \
-sc_SCMatrixSimpleSubblockIter.3 \
-sc_SCMatrixdouble.3 \
-sc_SCVector3.3 \
-sc_SCVectorSimpleBlockIter.3 \
-sc_SCVectorSimpleSubBlockIter.3 \
-sc_SCVectordouble.3 \
-sc_SO.3 \
-sc_SO_block.3 \
-sc_ShellExtent.3 \
-sc_ShellPairIter.3 \
-sc_ShellQuartetIter.3 \
-sc_SphereShape.3 \
-sc_SphericalTransformCCA.3 \
-sc_SphericalTransformCints.3 \
-sc_SphericalTransformComponentCCA.3 \
-sc_SphericalTransformComponentCints.3 \
-sc_SphericalTransformComponentV3.3 \
-sc_SphericalTransformV3.3 \
-sc_Stack.3 \
-sc_StateClassData.3 \
-sc_StateInData.3 \
-sc_StateOutData.3 \
-sc_SteepestDescentOpt.3 \
-sc_SumAccumH.3 \
-sc_SumMolecularEnergy.3 \
-sc_SymmOneBodyIntIter.3 \
-sc_SymmSCMatrix2SCExtrapData.3 \
-sc_SymmSCMatrix4SCExtrapData.3 \
-sc_SymmSCMatrixNSCExtrapData.3 \
-sc_SymmSCMatrixSCExtrapData.3 \
-sc_SymmSCMatrixSCExtrapError.3 \
-sc_SymmSCMatrixdouble.3 \
-sc_SymmTwoBodyIntIter.3 \
-sc_TBGrad.3 \
-sc_TCHF.3 \
-sc_TCSCF.3 \
-sc_TaylorMolecularEnergy.3 \
-sc_TestEffH.3 \
-sc_TimedRegion.3 \
-sc_Transform.3 \
-sc_TriInterpCoef.3 \
-sc_TriInterpCoefKey.3 \
-sc_Triangle.3 \
-sc_TriangleIntegrator.3 \
-sc_TriangulatedImplicitSurface.3 \
-sc_TriangulatedSurface.3 \
-sc_TriangulatedSurfaceIntegrator.3 \
-sc_TwoBodyIntIter.3 \
-sc_TwoBodyMOIntsTransform_123Inds.3 \
-sc_TwoBodyMOIntsTransform_12Inds.3 \
-sc_TwoBodyMOIntsTransform_13Inds.3 \
-sc_TwoBodySOInt.3 \
-sc_Uncapped5SphereExclusionShape.3 \
-sc_UncappedTorusHoleShape.3 \
-sc_UsedData.3 \
-sc_Vertex.3 \
-sc_X.3 \
-sc_Y.3 \
-sc_commbuf_struct.3 \
-sc_contribution.3 \
-sc_der_centersv3_t.3 \
-sc_distsize_t.3 \
-sc_intlist_struct.3 \
-sc_ip_cwk_stack_struct.3 \
-sc_ip_keyword_tree_list_struct.3 \
-sc_ip_keyword_tree_struct.3 \
-sc_ip_string_list_struct.3 \
-sc_mat3.3 \
-sc_mat4.3 \
-sc_message_struct.3 \
-sc_msgbuf_struct.3 \
-sc_prim_pair_t.3 \
-sc_type_info_key.3 \
-sc_vec2.3 \
-sc_vec3.3 \
-sc_vec4.3 \
-vertex.3 \
-vertices.3
diff --git a/science/mpqc/pkg-descr b/science/mpqc/pkg-descr
index 2c9cc75e8c40..ac605e1f0831 100644
--- a/science/mpqc/pkg-descr
+++ b/science/mpqc/pkg-descr
@@ -2,18 +2,17 @@ MPQC is the Massively Parallel Quantum Chemistry Program. It computes
 properties of atoms and molecules from first principles using the time
 independent Schrodinger equation. It runs on a wide range of architectures
 ranging from individual workstations to symmetric multiprocessors to
-massively parallel computers. Its design is object oriented, using the C++
-programming language.
+massively parallel computers. Its design is object oriented, using  C++.
 
 Capabilities
 o Closed shell and general restricted open shell Hartree-Fock energies and
-gradients
+  gradients
 o Second order open shell perturbation theory (OPT2[2]) and Z-averaged
-perturbation theory (ZAPT2) energies.
+  perturbation theory (ZAPT2) energies.
 o Second order closed shell Moller-Plesset perturbation theory energies and
-gradients.
+  gradients.
 o Robust internal coordinate geometry optimizer that efficiently optimizes
-molecules with many degrees of freedom.
+  molecules with many degrees of freedom.
 
 You can also validate your mpqc binaries when you employ other settings by:
 % make validate >& validate.log &
diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist
index b58c0506b04e..db911e95fa28 100644
--- a/science/mpqc/pkg-plist
+++ b/science/mpqc/pkg-plist
@@ -352,106 +352,753 @@ include/scdirlist.h
 @dirrm include/chemistry/molecule
 @dirrm include/chemistry
 lib/libSCbasis.a
-lib/libSCbasis.la
 lib/libSCbasis.so
-lib/libSCbasis.so.8
+lib/libSCbasis.so.7
+lib/libSCbasis.so.7.1.0
+lib/libSCcints.so
+lib/libSCcints.so.7
+lib/libSCcints.so.7.1.0
+lib/libSCcints.a
 lib/libSCclass.a
-lib/libSCclass.la
 lib/libSCclass.so
-lib/libSCclass.so.8
+lib/libSCclass.so.7
+lib/libSCclass.so.7.1.0
 lib/libSCcontainer.a
-lib/libSCcontainer.la
 lib/libSCcontainer.so
-lib/libSCcontainer.so.8
+lib/libSCcontainer.so.7
+lib/libSCcontainer.so.7.1.0
 lib/libSCdft.a
-lib/libSCdft.la
 lib/libSCdft.so
-lib/libSCdft.so.8
+lib/libSCdft.so.7
+lib/libSCdft.so.7.1.0
 lib/libSCgroup.a
-lib/libSCgroup.la
 lib/libSCgroup.so
-lib/libSCgroup.so.8
+lib/libSCgroup.so.7
+lib/libSCgroup.so.7.1.0
 lib/libSCintv3.a
-lib/libSCintv3.la
 lib/libSCintv3.so
-lib/libSCintv3.so.8
+lib/libSCintv3.so.7
+lib/libSCintv3.so.7.1.0
 lib/libSCisosurf.a
-lib/libSCisosurf.la
 lib/libSCisosurf.so
-lib/libSCisosurf.so.8
+lib/libSCisosurf.so.7
+lib/libSCisosurf.so.7.1.0
 lib/libSCkeyval.a
-lib/libSCkeyval.la
 lib/libSCkeyval.so
-lib/libSCkeyval.so.8
+lib/libSCkeyval.so.7
+lib/libSCkeyval.so.7.1.0
 lib/libSCmbpt.a
-lib/libSCmbpt.la
 lib/libSCmbpt.so
-lib/libSCmbpt.so.8
+lib/libSCmbpt.so.7
+lib/libSCmbpt.so.7.1.0
+lib/libSCmbptr12.so
+lib/libSCmbptr12.so.7
+lib/libSCmbptr12.so.7.1.0
+lib/libSCmbptr12.a
 lib/libSCmisc.a
-lib/libSCmisc.la
 lib/libSCmisc.so
-lib/libSCmisc.so.8
+lib/libSCmisc.so.7
+lib/libSCmisc.so.7.1.0
 lib/libSCmolecule.a
-lib/libSCmolecule.la
 lib/libSCmolecule.so
-lib/libSCmolecule.so.8
+lib/libSCmolecule.so.7
+lib/libSCmolecule.so.7.1.0
 lib/libSCoint3.a
-lib/libSCoint3.la
 lib/libSCoint3.so
-lib/libSCoint3.so.8
+lib/libSCoint3.so.7
+lib/libSCoint3.so.7.1.0
 lib/libSCoptimize.a
-lib/libSCoptimize.la
 lib/libSCoptimize.so
-lib/libSCoptimize.so.8
+lib/libSCoptimize.so.7
+lib/libSCoptimize.so.7.1.0
 lib/libSCoptions.a
-lib/libSCoptions.la
 lib/libSCoptions.so
-lib/libSCoptions.so.8
+lib/libSCoptions.so.7
+lib/libSCoptions.so.7.1.0
 lib/libSCpsi.a
-lib/libSCpsi.la
 lib/libSCpsi.so
-lib/libSCpsi.so.8
+lib/libSCpsi.so.7
+lib/libSCpsi.so.7.1.0
 lib/libSCref.a
-lib/libSCref.la
 lib/libSCref.so
-lib/libSCref.so.8
+lib/libSCref.so.7
+lib/libSCref.so.7.1.0
 lib/libSCrender.a
-lib/libSCrender.la
 lib/libSCrender.so
-lib/libSCrender.so.8
+lib/libSCrender.so.7
+lib/libSCrender.so.7.1.0
 lib/libSCscf.a
-lib/libSCscf.la
 lib/libSCscf.so
-lib/libSCscf.so.8
+lib/libSCscf.so.7
+lib/libSCscf.so.7.1.0
 lib/libSCscmat.a
-lib/libSCscmat.la
 lib/libSCscmat.so
-lib/libSCscmat.so.8
+lib/libSCscmat.so.7
+lib/libSCscmat.so.7.1.0
 lib/libSCsolvent.a
-lib/libSCsolvent.la
 lib/libSCsolvent.so
-lib/libSCsolvent.so.8
+lib/libSCsolvent.so.7
+lib/libSCsolvent.so.7.1.0
 lib/libSCstate.a
-lib/libSCstate.la
 lib/libSCstate.so
-lib/libSCstate.so.8
+lib/libSCstate.so.7
+lib/libSCstate.so.7.1.0
 lib/libSCsymmetry.a
-lib/libSCsymmetry.la
 lib/libSCsymmetry.so
-lib/libSCsymmetry.so.8
+lib/libSCsymmetry.so.7
+lib/libSCsymmetry.so.7.1.0
 lib/libSCwfn.a
-lib/libSCwfn.la
 lib/libSCwfn.so
-lib/libSCwfn.so.8
+lib/libSCwfn.so.7
+lib/libSCwfn.so.7.1.0
 lib/libmpqc.a
-lib/libmpqc.la
 lib/libmpqc.so
-lib/libmpqc.so.8
-lib/libSCcints.so
-lib/libSCcints.so.8
-lib/libSCcints.la
-lib/libSCcints.a
-lib/libSCmbptr12.so
-lib/libSCmbptr12.so.8
-lib/libSCmbptr12.la
-lib/libSCmbptr12.a
+lib/libmpqc.so.7
+lib/libmpqc.so.7.1.0
+%%DOCS%%man/man1/mpqc.1.gz
+%%DOCS%%man/man1/mpqcrun.1.gz
+%%DOCS%%man/man1/scls.1.gz
+%%DOCS%%man/man1/scpr.1.gz
+%%DOCS%%man/man1/molrender.1.gz
+%%DOCS%%man/man1/sc-config.1.gz
+%%DOCS%%man/man1/sc-libtool.1.gz
+%%DOCS%%man/man1/sc-mkf77sym.1.gz
+%%DOCS%%man/man3/sc_AtomInfo.3.gz
+%%DOCS%%man/man3/sc_IntCoor.3.gz
+%%DOCS%%man/man3/sc_SumIntCoor.3.gz
+%%DOCS%%man/man3/sc_SetIntCoor.3.gz
+%%DOCS%%man/man3/sc_IntCoorGen.3.gz
+%%DOCS%%man/man3/sc_MolecularCoor.3.gz
+%%DOCS%%man/man3/sc_IntMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_SymmMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_RedundMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_CartMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_MolecularEnergy.3.gz
+%%DOCS%%man/man3/sc_FinDispMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_MolecularFormula.3.gz
+%%DOCS%%man/man3/sc_MolecularHessian.3.gz
+%%DOCS%%man/man3/sc_ReadMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_GuessMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_DiagMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_Molecule.3.gz
+%%DOCS%%man/man3/sc_MolecularFrequencies.3.gz
+%%DOCS%%man/man3/sc_VDWShape.3.gz
+%%DOCS%%man/man3/sc_DiscreteConnollyShape.3.gz
+%%DOCS%%man/man3/sc_ConnollyShape.3.gz
+%%DOCS%%man/man3/sc_SimpleCo.3.gz
+%%DOCS%%man/man3/sc_StreSimpleCo.3.gz
+%%DOCS%%man/man3/sc_BendSimpleCo.3.gz
+%%DOCS%%man/man3/sc_TorsSimpleCo.3.gz
+%%DOCS%%man/man3/sc_ScaledTorsSimpleCo.3.gz
+%%DOCS%%man/man3/sc_LinIPSimpleCo.3.gz
+%%DOCS%%man/man3/sc_LinOPSimpleCo.3.gz
+%%DOCS%%man/man3/sc_CartesianIter.3.gz
+%%DOCS%%man/man3/sc_RedundantCartesianIter.3.gz
+%%DOCS%%man/man3/sc_RedundantCartesianSubIter.3.gz
+%%DOCS%%man/man3/sc_DerivCenters.3.gz
+%%DOCS%%man/man3/sc_DistShellPair.3.gz
+%%DOCS%%man/man3/sc_DistShellPair_SharedData.3.gz
+%%DOCS%%man/man3/sc_GaussianBasisSet.3.gz
+%%DOCS%%man/man3/sc_GaussianBasisSet_ValueData.3.gz
+%%DOCS%%man/man3/sc_GaussianShell.3.gz
+%%DOCS%%man/man3/sc_canonical_aaaa.3.gz
+%%DOCS%%man/man3/sc_canonical_aabc.3.gz
+%%DOCS%%man/man3/sc_canonical_aabb.3.gz
+%%DOCS%%man/man3/sc_canonical_abcd.3.gz
+%%DOCS%%man/man3/sc_GenPetite4.3.gz
+%%DOCS%%man/man3/sc_GPetite4.3.gz
+%%DOCS%%man/man3/sc_Integral.3.gz
+%%DOCS%%man/man3/sc_OneBodyInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyOneCenterInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyDerivInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyOneCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_OverlapOrthog.3.gz
+%%DOCS%%man/man3/sc_ShellRotation.3.gz
+%%DOCS%%man/man3/sc_SOTransformFunction.3.gz
+%%DOCS%%man/man3/sc_SOTransformShell.3.gz
+%%DOCS%%man/man3/sc_SOTransform.3.gz
+%%DOCS%%man/man3/sc_SOBasis.3.gz
+%%DOCS%%man/man3/sc_TwoBodyInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyThreeCenterInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyTwoCenterInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyThreeCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyTwoCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_SphericalTransformComponent.3.gz
+%%DOCS%%man/man3/sc_SphericalTransform.3.gz
+%%DOCS%%man/man3/sc_ISphericalTransform.3.gz
+%%DOCS%%man/man3/sc_SphericalTransformIter.3.gz
+%%DOCS%%man/man3/sc_IntegralCints.3.gz
+%%DOCS%%man/man3/sc_EriCints.3.gz
+%%DOCS%%man/man3/sc_GRTCints.3.gz
+%%DOCS%%man/man3/sc_Int1eCints.3.gz
+%%DOCS%%man/man3/sc_Int2eCints.3.gz
+%%DOCS%%man/man3/sc_OneBodyIntCints.3.gz
+%%DOCS%%man/man3/sc_PrimPairsCints.3.gz
+%%DOCS%%man/man3/sc_ShellPairCints.3.gz
+%%DOCS%%man/man3/sc_ShellPairsCints.3.gz
+%%DOCS%%man/man3/sc_TwoBodyIntCints.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivIntCints.3.gz
+%%DOCS%%man/man3/sc_CLKS.3.gz
+%%DOCS%%man/man3/sc_PointInputData.3.gz
+%%DOCS%%man/man3/sc_PointOutputData.3.gz
+%%DOCS%%man/man3/sc_DenFunctional.3.gz
+%%DOCS%%man/man3/sc_NElFunctional.3.gz
+%%DOCS%%man/man3/sc_SumDenFunctional.3.gz
+%%DOCS%%man/man3/sc_StdDenFunctional.3.gz
+%%DOCS%%man/man3/sc_LSDACFunctional.3.gz
+%%DOCS%%man/man3/sc_PBECFunctional.3.gz
+%%DOCS%%man/man3/sc_PW91CFunctional.3.gz
+%%DOCS%%man/man3/sc_P86CFunctional.3.gz
+%%DOCS%%man/man3/sc_SlaterXFunctional.3.gz
+%%DOCS%%man/man3/sc_VWNLCFunctional.3.gz
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