diff options
author | Dmitry Marakasov <amdmi3@FreeBSD.org> | 2015-10-01 07:04:30 +0000 |
---|---|---|
committer | Dmitry Marakasov <amdmi3@FreeBSD.org> | 2015-10-01 07:04:30 +0000 |
commit | ca3dd597967a858c4162b285b6100d52eed4a18b (patch) | |
tree | 8e90d42467b90a430456bb8e3e0f49d7bafa78cc /science/mpqc | |
parent | Update to the 20150916 snapshot of GCC 4.9.4. (diff) |
- Add missing manpage
- Switch to options helpers and OPTIONS_SLAVE
- Sort plist
- Fix stage-qa for mpqc-mpich
Notes
Notes:
svn path=/head/; revision=398253
Diffstat (limited to 'science/mpqc')
-rw-r--r-- | science/mpqc/Makefile | 30 | ||||
-rw-r--r-- | science/mpqc/pkg-plist | 1051 |
2 files changed, 538 insertions, 543 deletions
diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile index f92cffe20c51..4ce686aab203 100644 --- a/science/mpqc/Makefile +++ b/science/mpqc/Makefile @@ -3,7 +3,7 @@ PORTNAME= mpqc PORTVERSION= 2.3.1 -PORTREVISION= 26 +PORTREVISION= 27 CATEGORIES= science parallel MASTER_SITES= SF @@ -32,8 +32,7 @@ CONFIGURE_ARGS+=--with-cc=${CC} \ --with-sc-datadir=${PREFIX}/share/mpqc/${PORTVERSION} OPTIONS_DEFINE= DOCS ATLAS ICC MPICH OPTIFLAGS -OPTIONS_DEFAULT= DOCS -OPTIONS_SUB= DOCS +OPTIONS_SUB= yes ICC_DESC= Build with ICC compiler instead ATLAS_DESC= Link with ATLAS instead of BLAS @@ -49,10 +48,6 @@ DOCS_BUILD_DEPENDS= doxygen:${PORTSDIR}/devel/doxygen \ DOCS_USES= execinfo DOCS_USE= TEX=latex:build -.if defined(WITH_MPICH) -OPTIONS_DEFAULT+= MPICH -.endif - .include <bsd.port.options.mk> .if ${PORT_OPTIONS:MATLAS} @@ -86,12 +81,11 @@ CXXFLAGS+= -O2 -ffast-math do-build: (cd ${WRKSRC} && ${MAKE_CMD}) -.if ${PORT_OPTIONS:MDOCS} + +do-build-DOCS-on: (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 + ${RM} ${WRKSRC}/doc/man/man1/_* + ${RM} ${WRKSRC}/doc/man/man3/_* do-install: ${MKDIR} ${STAGEDIR}${PREFIX}/share/mpqc/validate @@ -101,7 +95,12 @@ do-install: ${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} + cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc \ + \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST} + cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc -type d -empty | ${SORT} -r | \ + ${SED} -e 's/^/@dir /g' >> ${TMPPLIST} + +do-install-DOCS-on: ${MKDIR} ${STAGEDIR}${DOCSDIR} (cd ${WRKSRC}/doc/man/man3 && \ ${INSTALL_MAN} *3 ${STAGEDIR}${MANPREFIX}/man/man3) @@ -113,11 +112,6 @@ do-install: \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST} cd ${STAGEDIR}${PREFIX}; ${FIND} share/doc/mpqc -type d -empty | \ ${SORT} -r | ${SED} -e 's/^/@dir /g' >> ${TMPPLIST} -.endif - cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc \ - \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST} - cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc -type d -empty | ${SORT} -r | \ - ${SED} -e 's/^/@dir /g' >> ${TMPPLIST} validate: (cd ${WRKSRC}/src/bin/mpqc/validate && \ diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist index e0200650462b..44068b265357 100644 --- a/science/mpqc/pkg-plist +++ b/science/mpqc/pkg-plist @@ -1,162 +1,14 @@ bin/ccarun bin/chkmpqcout -bin/sc-libtool bin/molrender bin/mpqc bin/mpqcrun bin/sc-config +bin/sc-libtool bin/sc-mkf77sym bin/scls bin/scpr bin/tkmolrender -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/class/scexception.h -include/util/container/LIBS.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/class/LIBS.h -include/util/class/class.h -include/util/class/proxy.h -include/util/state/LIBS.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_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/autovec.h -include/util/misc/bug.h -include/util/misc/ccaenv.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/math.h -include/util/misc/newstring.h -include/util/misc/regtime.h -include/util/misc/scint.h -include/util/misc/string.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/keyvalval.h -include/util/group/LIBS.h -include/util/group/file.h -include/util/group/fileproc.h -include/util/group/globcnt.h -include/util/group/hcube.h -include/util/group/linkage.h -include/util/group/memamsg.h -include/util/group/memarmci.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/memrdma.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/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/util.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/mcsearch.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/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 @@ -172,8 +24,6 @@ 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 @@ -214,6 +64,41 @@ include/chemistry/qc/cints/static.h include/chemistry/qc/cints/storage.h include/chemistry/qc/cints/tbintcints.h include/chemistry/qc/cints/tform.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/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/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/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/mbptr12/LIBS.h include/chemistry/qc/mbptr12/blas.h include/chemistry/qc/mbptr12/f77sym.h @@ -244,30 +129,12 @@ include/chemistry/qc/mbptr12/twobodygrid.h include/chemistry/qc/mbptr12/vxb_eval_info.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/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/chemistry/qc/scf/LIBS.h include/chemistry/qc/scf/clhf.h include/chemistry/qc/scf/clhftmpl.h @@ -294,42 +161,175 @@ 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/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/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/solvent/LIBS.h +include/chemistry/solvent/bem.h +include/math/isosurf/LIBS.h +include/math/isosurf/edge.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/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/mcsearch.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/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/util.h +include/math/scmat/vector3.h +include/math/scmat/vector3_i.h +include/math/symmetry/LIBS.h +include/math/symmetry/corrtab.h +include/math/symmetry/pointgrp.h include/scconfig.h include/scdirlist.h +include/util/class/LIBS.h +include/util/class/class.h +include/util/class/proxy.h +include/util/class/scexception.h +include/util/container/LIBS.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/group/LIBS.h +include/util/group/file.h +include/util/group/fileproc.h +include/util/group/globcnt.h +include/util/group/hcube.h +include/util/group/linkage.h +include/util/group/memamsg.h +include/util/group/memarmci.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/memrdma.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/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/keyvalval.h +include/util/misc/LIBS.h +include/util/misc/autovec.h +include/util/misc/bug.h +include/util/misc/ccaenv.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/math.h +include/util/misc/newstring.h +include/util/misc/regtime.h +include/util/misc/scint.h +include/util/misc/string.h +include/util/misc/timer.h +include/util/misc/units.h +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/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/util/state/LIBS.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_text.h +include/util/state/statein.h +include/util/state/stateio.h +include/util/state/stateout.h +include/util/state/translate.h lib/libSCbasis.a lib/libSCbasis.so lib/libSCbasis.so.7 lib/libSCbasis.so.7.1.0 +lib/libSCcints.a lib/libSCcints.so lib/libSCcints.so.7 lib/libSCcints.so.7.1.0 -lib/libSCcints.a lib/libSCclass.a lib/libSCclass.so lib/libSCclass.so.7 @@ -362,10 +362,10 @@ lib/libSCmbpt.a lib/libSCmbpt.so lib/libSCmbpt.so.7 lib/libSCmbpt.so.7.1.0 +lib/libSCmbptr12.a lib/libSCmbptr12.so lib/libSCmbptr12.so.7 lib/libSCmbptr12.so.7.1.0 -lib/libSCmbptr12.a lib/libSCmisc.a lib/libSCmisc.so lib/libSCmisc.so.7 @@ -426,333 +426,14 @@ lib/libmpqc.a lib/libmpqc.so lib/libmpqc.so.7 lib/libmpqc.so.7.1.0 +%%DOCS%%man/man1/molrender.1.gz %%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 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%%DOCS%%man/man3/sc_BLevelShift.3.gz %%DOCS%%man/man3/sc_Backtrack.3.gz %%DOCS%%man/man3/sc_BasisFileSet.3.gz +%%DOCS%%man/man3/sc_BatchElectronDensity.3.gz +%%DOCS%%man/man3/sc_BcastState.3.gz +%%DOCS%%man/man3/sc_BcastStateInBin.3.gz +%%DOCS%%man/man3/sc_BcastStateRecv.3.gz +%%DOCS%%man/man3/sc_BcastStateSend.3.gz +%%DOCS%%man/man3/sc_Becke88XFunctional.3.gz +%%DOCS%%man/man3/sc_BeckeIntegrationWeight.3.gz +%%DOCS%%man/man3/sc_BendSimpleCo.3.gz %%DOCS%%man/man3/sc_BiggestContribs.3.gz %%DOCS%%man/man3/sc_BitArrayLTri.3.gz %%DOCS%%man/man3/sc_BlockedDiagSCMatrix.3.gz @@ -794,41 +493,86 @@ lib/libmpqc.so.7.1.0 %%DOCS%%man/man3/sc_BlockedSCVector.3.gz %%DOCS%%man/man3/sc_BlockedSymmSCMatrix.3.gz %%DOCS%%man/man3/sc_BuildIntV3.3.gz +%%DOCS%%man/man3/sc_CCAEnv.3.gz +%%DOCS%%man/man3/sc_CLHF.3.gz +%%DOCS%%man/man3/sc_CLKS.3.gz +%%DOCS%%man/man3/sc_CLSCF.3.gz %%DOCS%%man/man3/sc_CS2Sphere.3.gz %%DOCS%%man/man3/sc_CSGrad34Qbtr.3.gz %%DOCS%%man/man3/sc_CSGradErep12Qtr.3.gz 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%%DOCS%%man/man3/sc_ReplSymmSCMatrix.3.gz +%%DOCS%%man/man3/sc_Result.3.gz +%%DOCS%%man/man3/sc_ResultInfo.3.gz +%%DOCS%%man/man3/sc_SCBlockInfo.3.gz %%DOCS%%man/man3/sc_SCDestructiveElementProduct.3.gz +%%DOCS%%man/man3/sc_SCDimension.3.gz %%DOCS%%man/man3/sc_SCElementAccumulateDiagSCMatrix.3.gz %%DOCS%%man/man3/sc_SCElementAccumulateSCMatrix.3.gz %%DOCS%%man/man3/sc_SCElementAccumulateSCVector.3.gz @@ -971,8 +850,12 @@ lib/libmpqc.so.7.1.0 %%DOCS%%man/man3/sc_SCElementAssign.3.gz %%DOCS%%man/man3/sc_SCElementDot.3.gz %%DOCS%%man/man3/sc_SCElementInvert.3.gz +%%DOCS%%man/man3/sc_SCElementKNorm.3.gz %%DOCS%%man/man3/sc_SCElementMaxAbs.3.gz %%DOCS%%man/man3/sc_SCElementMinAbs.3.gz +%%DOCS%%man/man3/sc_SCElementOp.3.gz +%%DOCS%%man/man3/sc_SCElementOp2.3.gz +%%DOCS%%man/man3/sc_SCElementOp3.3.gz %%DOCS%%man/man3/sc_SCElementRandomize.3.gz %%DOCS%%man/man3/sc_SCElementScalarProduct.3.gz %%DOCS%%man/man3/sc_SCElementScale.3.gz @@ -980,47 +863,108 @@ lib/libmpqc.so.7.1.0 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%%DOCS%%man/man3/sc_SphereShape.3.gz +%%DOCS%%man/man3/sc_SphericalTransform.3.gz %%DOCS%%man/man3/sc_SphericalTransformCCA.3.gz %%DOCS%%man/man3/sc_SphericalTransformCints.3.gz +%%DOCS%%man/man3/sc_SphericalTransformComponent.3.gz %%DOCS%%man/man3/sc_SphericalTransformComponentCCA.3.gz %%DOCS%%man/man3/sc_SphericalTransformComponentCints.3.gz %%DOCS%%man/man3/sc_SphericalTransformComponentV3.3.gz +%%DOCS%%man/man3/sc_SphericalTransformIter.3.gz %%DOCS%%man/man3/sc_SphericalTransformV3.3.gz %%DOCS%%man/man3/sc_Stack.3.gz %%DOCS%%man/man3/sc_StateClassData.3.gz +%%DOCS%%man/man3/sc_StateIn.3.gz +%%DOCS%%man/man3/sc_StateInBin.3.gz %%DOCS%%man/man3/sc_StateInData.3.gz +%%DOCS%%man/man3/sc_StateInFile.3.gz +%%DOCS%%man/man3/sc_StateInText.3.gz +%%DOCS%%man/man3/sc_StateOut.3.gz +%%DOCS%%man/man3/sc_StateOutBin.3.gz %%DOCS%%man/man3/sc_StateOutData.3.gz +%%DOCS%%man/man3/sc_StateOutFile.3.gz +%%DOCS%%man/man3/sc_StateOutText.3.gz +%%DOCS%%man/man3/sc_StateRecv.3.gz +%%DOCS%%man/man3/sc_StateSend.3.gz +%%DOCS%%man/man3/sc_StdDenFunctional.3.gz %%DOCS%%man/man3/sc_SteepestDescentOpt.3.gz +%%DOCS%%man/man3/sc_StreSimpleCo.3.gz +%%DOCS%%man/man3/sc_StringKeyVal.3.gz %%DOCS%%man/man3/sc_SumAccumH.3.gz +%%DOCS%%man/man3/sc_SumDenFunctional.3.gz +%%DOCS%%man/man3/sc_SumIntCoor.3.gz %%DOCS%%man/man3/sc_SumMolecularEnergy.3.gz +%%DOCS%%man/man3/sc_SymRep.3.gz +%%DOCS%%man/man3/sc_SymmMolecularCoor.3.gz %%DOCS%%man/man3/sc_SymmOneBodyIntIter.3.gz +%%DOCS%%man/man3/sc_SymmSCMatrix.3.gz %%DOCS%%man/man3/sc_SymmSCMatrix2SCExtrapData.3.gz %%DOCS%%man/man3/sc_SymmSCMatrix4SCExtrapData.3.gz %%DOCS%%man/man3/sc_SymmSCMatrixNSCExtrapData.3.gz @@ -1028,13 +972,27 @@ lib/libmpqc.so.7.1.0 %%DOCS%%man/man3/sc_SymmSCMatrixSCExtrapError.3.gz %%DOCS%%man/man3/sc_SymmSCMatrixdouble.3.gz %%DOCS%%man/man3/sc_SymmTwoBodyIntIter.3.gz +%%DOCS%%man/man3/sc_SymmetryOperation.3.gz +%%DOCS%%man/man3/sc_SyscallFailed.3.gz +%%DOCS%%man/man3/sc_SystemException.3.gz %%DOCS%%man/man3/sc_TBGrad.3.gz %%DOCS%%man/man3/sc_TCHF.3.gz %%DOCS%%man/man3/sc_TCSCF.3.gz %%DOCS%%man/man3/sc_TaylorMolecularEnergy.3.gz %%DOCS%%man/man3/sc_TestEffH.3.gz +%%DOCS%%man/man3/sc_Thread.3.gz +%%DOCS%%man/man3/sc_ThreadGrp.3.gz +%%DOCS%%man/man3/sc_ThreadLock.3.gz +%%DOCS%%man/man3/sc_ThreadLockHolder.3.gz %%DOCS%%man/man3/sc_TimedRegion.3.gz +%%DOCS%%man/man3/sc_Timer.3.gz +%%DOCS%%man/man3/sc_ToleranceExceeded.3.gz +%%DOCS%%man/man3/sc_TorsSimpleCo.3.gz %%DOCS%%man/man3/sc_Transform.3.gz +%%DOCS%%man/man3/sc_TranslateData.3.gz +%%DOCS%%man/man3/sc_TranslateDataByteSwap.3.gz +%%DOCS%%man/man3/sc_TranslateDataIn.3.gz +%%DOCS%%man/man3/sc_TranslateDataOut.3.gz %%DOCS%%man/man3/sc_TriInterpCoef.3.gz %%DOCS%%man/man3/sc_TriInterpCoefKey.3.gz %%DOCS%%man/man3/sc_Triangle.3.gz @@ -1042,31 +1000,74 @@ lib/libmpqc.so.7.1.0 %%DOCS%%man/man3/sc_TriangulatedImplicitSurface.3.gz %%DOCS%%man/man3/sc_TriangulatedSurface.3.gz %%DOCS%%man/man3/sc_TriangulatedSurfaceIntegrator.3.gz 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