svn commit: r367610 - in head/science: mpqc mpqc-mpich mpqc/files
John Marino
marino at FreeBSD.org
Mon Sep 8 00:20:05 UTC 2014
Author: marino
Date: Mon Sep 8 00:20:03 2014
New Revision: 367610
URL: http://svnweb.freebsd.org/changeset/ports/367610
QAT: https://qat.redports.org/buildarchive/r367610/
Log:
Stage science/mpqc and science/mpqc-mpich
* reset maintainer
* converted to options instead of WITH_* knobs
* moved files/manpages to pkgplist
* USES+= libtool
* modernize
Deleted:
head/science/mpqc/files/manpages
Modified:
head/science/mpqc-mpich/Makefile
head/science/mpqc/Makefile
head/science/mpqc/pkg-descr
head/science/mpqc/pkg-plist
Modified: head/science/mpqc-mpich/Makefile
==============================================================================
--- head/science/mpqc-mpich/Makefile Sun Sep 7 22:10:09 2014 (r367609)
+++ head/science/mpqc-mpich/Makefile Mon Sep 8 00:20:03 2014 (r367610)
@@ -7,5 +7,4 @@ PKGNAMESUFFIX= -mpich
WITH_MPICH= yes
-NO_STAGE= yes
.include "${MASTERDIR}/Makefile"
Modified: head/science/mpqc/Makefile
==============================================================================
--- head/science/mpqc/Makefile Sun Sep 7 22:10:09 2014 (r367609)
+++ head/science/mpqc/Makefile Mon Sep 8 00:20:03 2014 (r367610)
@@ -3,30 +3,59 @@
PORTNAME= mpqc
PORTVERSION= 2.3.1
-PORTREVISION= 21
+PORTREVISION= 22
CATEGORIES= science parallel
MASTER_SITES= SF
-MAINTAINER= maho at FreeBSD.org
-COMMENT= The massively parallel quantum computing library and program
+MAINTAINER= ports at FreeBSD.org
+COMMENT= Massively Parallel Quantum Computing library and program
+
+LIB_DEPENDS= libint.so:${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
+
+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_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
+.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:${PORTSDIR}/m
BLAS= -lblas
LAPACK= -llapack
.endif
-.if defined(WITH_MPICH)
-LIB_DEPENDS+= libmpich.so:${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}
-.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}
+ ${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 ${STAGEDIR}${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>
Modified: head/science/mpqc/pkg-descr
==============================================================================
--- head/science/mpqc/pkg-descr Sun Sep 7 22:10:09 2014 (r367609)
+++ head/science/mpqc/pkg-descr Mon Sep 8 00:20:03 2014 (r367610)
@@ -2,18 +2,17 @@ MPQC is the Massively Parallel Quantum C
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 &
Modified: head/science/mpqc/pkg-plist
==============================================================================
--- head/science/mpqc/pkg-plist Sun Sep 7 22:10:09 2014 (r367609)
+++ head/science/mpqc/pkg-plist Mon Sep 8 00:20:03 2014 (r367610)
@@ -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
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*** DIFF OUTPUT TRUNCATED AT 1000 LINES ***
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