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authormaho <maho@FreeBSD.org>2003-01-31 23:04:33 +0000
committermaho <maho@FreeBSD.org>2003-01-31 23:04:33 +0000
commit894daf02acf43cba723488971c7fed685a898bc8 (patch)
tree2db0bb8b71c7c16fbe117f9e6cdce9c6714fe71a /science
parentb0e9565e5ad485e8e830196485078d4c0b630f87 (diff)
downloadFreeBSD-ports-894daf02acf43cba723488971c7fed685a898bc8.zip
FreeBSD-ports-894daf02acf43cba723488971c7fed685a898bc8.tar.gz
Update to 2.1.3
enable WITH_OPTIMIZED_FLAGS Reviewed by: knu (mentor)
Diffstat (limited to 'science')
-rw-r--r--science/mpqc/Makefile16
-rw-r--r--science/mpqc/distinfo6
-rw-r--r--science/mpqc/files/manpages462
-rw-r--r--science/mpqc/pkg-plist3458
4 files changed, 1976 insertions, 1966 deletions
diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index 3f91a23..a3e76c4 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -6,7 +6,7 @@
#
PORTNAME= mpqc
-PORTVERSION= 2.1.2
+PORTVERSION= 2.1.3
CATEGORIES= science parallel
MASTER_SITES= http://aros.ca.sandia.gov/~cljanss/mpqc/distrib/
DISTFILES= mpqc-${PORTVERSION}.tar.gz mpqc-val-2.1.0.tar.gz
@@ -35,14 +35,22 @@ CONFIGURE_ARGS= --with-cc=${CC} \
USE_PERL5= yes
USE_GMAKE= yes
ALL_TARGET= # empty
+PLIST_SUB+= VERSION=${PORTVERSION}
MPQC_COMMAND= ${PREFIX}/bin/mpqc
.include "${MASTERDIR}/files/manpages"
+.if defined(WITH_OPTIMIZED_FLAGS)
+CFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double
+CXXFLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double -Wno-multichar
+.if (${MACHINE_ARCH} == "i386")
+CFLAGS+= -mcpu=i686 -march=i686 -mfancy-math-387
+CXXFLAGS+= -mcpu=i686 -march=i686 -mfancy-math-387
+.endif # i386
+.endif
+
pre-configure:
- @${ECHO} "You can override and CFLAGS on the command line."
- @${ECHO} "Following is a recommended one."
- @${ECHO} "make CFLAGS=\"-malign-double -fexpensive-optimizations -O4 -ffast-math -funroll-loops\""
+ @${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
do-install:
@cd ${WRKSRC} ; ${GMAKE} install
diff --git a/science/mpqc/distinfo b/science/mpqc/distinfo
index 9482726..307585c 100644
--- a/science/mpqc/distinfo
+++ b/science/mpqc/distinfo
@@ -1,4 +1,4 @@
-MD5 (mpqc-2.1.2.tar.gz) = 37c9926b5e4bfadefa0ffb07033763f4
+MD5 (mpqc-2.1.3.tar.gz) = ea81bc949e85da0fdd07b5102986f73f
MD5 (mpqc-val-2.1.0.tar.gz) = 6bc61c91288d2e45c170542079b60405
-MD5 (mpqc-man-2.1.2.tar.gz) = 856749d3f5b65041228b442441baefe9
-MD5 (mpqc-html-2.1.2.tar.gz) = 5b474ba2f49d7a106fd6e0e98b47c373
+MD5 (mpqc-man-2.1.3.tar.gz) = c50fa85deb3e5d14fe9006c655c0fb9f
+MD5 (mpqc-html-2.1.3.tar.gz) = 31daa51cb188af0f9b5406c00174fbdb
diff --git a/science/mpqc/files/manpages b/science/mpqc/files/manpages
index f1dd2f7..acc2ab5 100644
--- a/science/mpqc/files/manpages
+++ b/science/mpqc/files/manpages
@@ -1,232 +1,232 @@
MAN3= \
-sc__AccResult.3 \
-sc__AccResultInfo.3 \
-sc__ActiveMsgMemoryGrp.3 \
-sc__AngularIntegrator.3 \
-sc__AtomInfo.3 \
-sc__BFGSUpdate.3 \
-sc__BcastState.3 \
-sc__BcastStateInBin.3 \
-sc__BcastStateRecv.3 \
-sc__BcastStateSend.3 \
-sc__Becke88XFunctional.3 \
-sc__BeckeIntegrationWeight.3 \
-sc__BendSimpleCo.3 \
-sc__CLHF.3 \
-sc__CLSCF.3 \
-sc__CartMolecularCoor.3 \
-sc__CartesianIter.3 \
-sc__CharacterTable.3 \
-sc__ClassDesc.3 \
-sc__ClassKey.3 \
-sc__Compute.3 \
-sc__ConnollyShape.3 \
-sc__Convergence.3 \
-sc__CorrelationTable.3 \
-sc__DFPUpdate.3 \
-sc__DIIS.3 \
-sc__Debugger.3 \
-sc__DenFunctional.3 \
-sc__DenIntegrator.3 \
-sc__DerivCenters.3 \
-sc__DescribedClass.3 \
-sc__DiagSCMatrix.3 \
-sc__DiscreteConnollyShape.3 \
-sc__DistSCMatrixKit.3 \
-sc__DistShellPair.3 \
-sc__EFCOpt.3 \
-sc__EulerMaclaurinRadialIntegrator.3 \
-sc__ExEnv.3 \
-sc__FinDispMolecularHessian.3 \
-sc__ForceLink.3 \
-sc__ForceLinkBase.3 \
-sc__Function.3 \
-sc__G96XFunctional.3 \
-sc__GaussLegendreAngularIntegrator.3 \
-sc__GaussianBasisSet.3 \
-sc__GaussianBasisSet__ValueData.3 \
-sc__GaussianShell.3 \
-sc__HSOSHF.3 \
-sc__HSOSSCF.3 \
-sc__HessianUpdate.3 \
-sc__ISphericalTransform.3 \
-sc__Identifier.3 \
-sc__Identity.3 \
-sc__IdentityTransform.3 \
-sc__Int1eV3.3 \
-sc__Int2eV3.3 \
-sc__IntCoor.3 \
-sc__IntCoorGen.3 \
-sc__IntMolecularCoor.3 \
-sc__Integral.3 \
-sc__IntegralV3.3 \
-sc__IntegrationWeight.3 \
-sc__IrreducibleRepresentation.3 \
-sc__KeyVal.3 \
-sc__LSDACFunctional.3 \
-sc__LYPCFunctional.3 \
-sc__LebedevLaikovIntegrator.3 \
-sc__LinIPSimpleCo.3 \
-sc__LinOPSimpleCo.3 \
-sc__LineOpt.3 \
-sc__LocalSCMatrixKit.3 \
-sc__MBPT2.3 \
-sc__MPIMessageGrp.3 \
-sc__MTMPIMemoryGrp.3 \
-sc__MemoryGrp.3 \
-sc__MemoryGrpBuf.3 \
-sc__MessageGrp.3 \
-sc__MolecularCoor.3 \
-sc__MolecularEnergy.3 \
-sc__MolecularFormula.3 \
-sc__MolecularFrequencies.3 \
-sc__Molecule.3 \
-sc__MsgMemoryGrp.3 \
-sc__MsgStateBufRecv.3 \
-sc__MsgStateRecv.3 \
-sc__MsgStateSend.3 \
-sc__NCAccResult.3 \
-sc__NCResult.3 \
-sc__NElFunctional.3 \
-sc__NonlinearTransform.3 \
-sc__OneBodyDerivInt.3 \
-sc__OneBodyDerivIntV3.3 \
-sc__OneBodyInt.3 \
-sc__OneBodyIntV3.3 \
-sc__OneBodyWavefunction.3 \
-sc__Optimize.3 \
-sc__P86CFunctional.3 \
-sc__PBECFunctional.3 \
-sc__PBEXFunctional.3 \
-sc__PW86XFunctional.3 \
-sc__PW91CFunctional.3 \
-sc__PW91XFunctional.3 \
-sc__PW92LCFunctional.3 \
-sc__PZ81LCFunctional.3 \
-sc__ParentClass.3 \
-sc__ParentClasses.3 \
-sc__ParsedKeyVal.3 \
-sc__PointGroup.3 \
-sc__PointInputData.3 \
-sc__PointOutputData.3 \
-sc__PowellUpdate.3 \
-sc__ProcMemoryGrp.3 \
-sc__ProcMessageGrp.3 \
-sc__ProcThreadGrp.3 \
-sc__PsiCCSD.3 \
-sc__PsiCCSD_T.3 \
-sc__PsiCLHF.3 \
-sc__PsiExEnv.3 \
-sc__PsiFile11.3 \
-sc__PsiHSOSHF.3 \
-sc__PsiInput.3 \
-sc__PsiSCF.3 \
-sc__PsiUHF.3 \
-sc__PsiWavefunction.3 \
-sc__PthreadThreadGrp.3 \
-sc__PumaThreadGrp.3 \
-sc__QNewtonOpt.3 \
-sc__RadialAngularIntegrator.3 \
-sc__RadialIntegrator.3 \
-sc__RedundMolecularCoor.3 \
-sc__RedundantCartesianIter.3 \
-sc__RedundantCartesianSubIter.3 \
-sc__Ref.3 \
-sc__RefBase.3 \
-sc__RefCount.3 \
-sc__RefDiagSCMatrix.3 \
-sc__RefSCDimension.3 \
-sc__RefSCMatrix.3 \
-sc__RefSCVector.3 \
-sc__RefSymmSCMatrix.3 \
-sc__ReplSCMatrixKit.3 \
-sc__Result.3 \
-sc__ResultInfo.3 \
-sc__SCBlockInfo.3 \
-sc__SCDimension.3 \
-sc__SCElementOp.3 \
-sc__SCElementOp2.3 \
-sc__SCElementOp3.3 \
-sc__SCExtrapData.3 \
-sc__SCExtrapError.3 \
-sc__SCF.3 \
-sc__SCFormIO.3 \
-sc__SCMatrix.3 \
-sc__SCMatrixBlock.3 \
-sc__SCMatrixBlockIter.3 \
-sc__SCMatrixDiagBlock.3 \
-sc__SCMatrixDiagSubBlock.3 \
-sc__SCMatrixKit.3 \
-sc__SCMatrixLTriBlock.3 \
-sc__SCMatrixLTriSubBlock.3 \
-sc__SCMatrixRectBlock.3 \
-sc__SCMatrixRectSubBlock.3 \
-sc__SCMatrixSubblockIter.3 \
-sc__SCVector.3 \
-sc__SCVectorSimpleBlock.3 \
-sc__SCVectorSimpleSubBlock.3 \
-sc__SOBasis.3 \
-sc__SOTransform.3 \
-sc__SOTransformFunction.3 \
-sc__SOTransformShell.3 \
-sc__SSAccResult.3 \
-sc__SavableState.3 \
-sc__SavableStateProxy.3 \
-sc__ScaledTorsSimpleCo.3 \
-sc__SelfConsistentExtrapolation.3 \
-sc__SetIntCoor.3 \
-sc__Shape.3 \
-sc__ShellRotation.3 \
-sc__ShmMemoryGrp.3 \
-sc__ShmMessageGrp.3 \
-sc__SimpleCo.3 \
-sc__SlaterXFunctional.3 \
-sc__SphericalTransform.3 \
-sc__SphericalTransformComponent.3 \
-sc__SphericalTransformIter.3 \
-sc__StateIn.3 \
-sc__StateInBin.3 \
-sc__StateInFile.3 \
-sc__StateInText.3 \
-sc__StateOut.3 \
-sc__StateOutBin.3 \
-sc__StateOutFile.3 \
-sc__StateOutText.3 \
-sc__StateRecv.3 \
-sc__StateSend.3 \
-sc__StdDenFunctional.3 \
-sc__StreSimpleCo.3 \
-sc__SumDenFunctional.3 \
-sc__SumIntCoor.3 \
-sc__SymRep.3 \
-sc__SymmMolecularCoor.3 \
-sc__SymmSCMatrix.3 \
-sc__SymmetryOperation.3 \
-sc__Thread.3 \
-sc__ThreadGrp.3 \
-sc__ThreadLock.3 \
-sc__TorsSimpleCo.3 \
-sc__TranslateData.3 \
-sc__TranslateDataByteSwap.3 \
-sc__TranslateDataIn.3 \
-sc__TranslateDataOut.3 \
-sc__TwoBodyDerivInt.3 \
-sc__TwoBodyDerivIntV3.3 \
-sc__TwoBodyInt.3 \
-sc__TwoBodyIntV3.3 \
-sc__UnionShape.3 \
-sc__Units.3 \
-sc__UnrestrictedSCF.3 \
-sc__VDWShape.3 \
-sc__VWN1LCFunctional.3 \
-sc__VWN2LCFunctional.3 \
-sc__VWN3LCFunctional.3 \
-sc__VWN4LCFunctional.3 \
-sc__VWN5LCFunctional.3 \
-sc__VWNLCFunctional.3 \
-sc__Volume.3 \
-sc__Wavefunction.3 \
-sc__XalphaFunctional.3 \
-sc__intMessageGrp.3 \
-sc__mPW91XFunctional.3 \
-sc__scprintf.3
+sc_AccResult.3 \
+sc_AccResultInfo.3 \
+sc_ActiveMsgMemoryGrp.3 \
+sc_AngularIntegrator.3 \
+sc_AtomInfo.3 \
+sc_BFGSUpdate.3 \
+sc_BcastState.3 \
+sc_BcastStateInBin.3 \
+sc_BcastStateRecv.3 \
+sc_BcastStateSend.3 \
+sc_Becke88XFunctional.3 \
+sc_BeckeIntegrationWeight.3 \
+sc_BendSimpleCo.3 \
+sc_CLHF.3 \
+sc_CLSCF.3 \
+sc_CartMolecularCoor.3 \
+sc_CartesianIter.3 \
+sc_CharacterTable.3 \
+sc_ClassDesc.3 \
+sc_ClassKey.3 \
+sc_Compute.3 \
+sc_ConnollyShape.3 \
+sc_Convergence.3 \
+sc_CorrelationTable.3 \
+sc_DFPUpdate.3 \
+sc_DIIS.3 \
+sc_Debugger.3 \
+sc_DenFunctional.3 \
+sc_DenIntegrator.3 \
+sc_DerivCenters.3 \
+sc_DescribedClass.3 \
+sc_DiagSCMatrix.3 \
+sc_DiscreteConnollyShape.3 \
+sc_DistSCMatrixKit.3 \
+sc_DistShellPair.3 \
+sc_EFCOpt.3 \
+sc_EulerMaclaurinRadialIntegrator.3 \
+sc_ExEnv.3 \
+sc_FinDispMolecularHessian.3 \
+sc_ForceLink.3 \
+sc_ForceLinkBase.3 \
+sc_Function.3 \
+sc_G96XFunctional.3 \
+sc_GaussLegendreAngularIntegrator.3 \
+sc_GaussianBasisSet.3 \
+sc_GaussianBasisSet_ValueData.3 \
+sc_GaussianShell.3 \
+sc_HSOSHF.3 \
+sc_HSOSSCF.3 \
+sc_HessianUpdate.3 \
+sc_ISphericalTransform.3 \
+sc_Identifier.3 \
+sc_Identity.3 \
+sc_IdentityTransform.3 \
+sc_Int1eV3.3 \
+sc_Int2eV3.3 \
+sc_IntCoor.3 \
+sc_IntCoorGen.3 \
+sc_IntMolecularCoor.3 \
+sc_Integral.3 \
+sc_IntegralV3.3 \
+sc_IntegrationWeight.3 \
+sc_IrreducibleRepresentation.3 \
+sc_KeyVal.3 \
+sc_LSDACFunctional.3 \
+sc_LYPCFunctional.3 \
+sc_LebedevLaikovIntegrator.3 \
+sc_LinIPSimpleCo.3 \
+sc_LinOPSimpleCo.3 \
+sc_LineOpt.3 \
+sc_LocalSCMatrixKit.3 \
+sc_MBPT2.3 \
+sc_MPIMessageGrp.3 \
+sc_MTMPIMemoryGrp.3 \
+sc_MemoryGrp.3 \
+sc_MemoryGrpBuf.3 \
+sc_MessageGrp.3 \
+sc_MolecularCoor.3 \
+sc_MolecularEnergy.3 \
+sc_MolecularFormula.3 \
+sc_MolecularFrequencies.3 \
+sc_Molecule.3 \
+sc_MsgMemoryGrp.3 \
+sc_MsgStateBufRecv.3 \
+sc_MsgStateRecv.3 \
+sc_MsgStateSend.3 \
+sc_NCAccResult.3 \
+sc_NCResult.3 \
+sc_NElFunctional.3 \
+sc_NonlinearTransform.3 \
+sc_OneBodyDerivInt.3 \
+sc_OneBodyDerivIntV3.3 \
+sc_OneBodyInt.3 \
+sc_OneBodyIntV3.3 \
+sc_OneBodyWavefunction.3 \
+sc_Optimize.3 \
+sc_P86CFunctional.3 \
+sc_PBECFunctional.3 \
+sc_PBEXFunctional.3 \
+sc_PW86XFunctional.3 \
+sc_PW91CFunctional.3 \
+sc_PW91XFunctional.3 \
+sc_PW92LCFunctional.3 \
+sc_PZ81LCFunctional.3 \
+sc_ParentClass.3 \
+sc_ParentClasses.3 \
+sc_ParsedKeyVal.3 \
+sc_PointGroup.3 \
+sc_PointInputData.3 \
+sc_PointOutputData.3 \
+sc_PowellUpdate.3 \
+sc_ProcMemoryGrp.3 \
+sc_ProcMessageGrp.3 \
+sc_ProcThreadGrp.3 \
+sc_PsiCCSD.3 \
+sc_PsiCCSD_T.3 \
+sc_PsiCLHF.3 \
+sc_PsiExEnv.3 \
+sc_PsiFile11.3 \
+sc_PsiHSOSHF.3 \
+sc_PsiInput.3 \
+sc_PsiSCF.3 \
+sc_PsiUHF.3 \
+sc_PsiWavefunction.3 \
+sc_PthreadThreadGrp.3 \
+sc_PumaThreadGrp.3 \
+sc_QNewtonOpt.3 \
+sc_RadialAngularIntegrator.3 \
+sc_RadialIntegrator.3 \
+sc_RedundMolecularCoor.3 \
+sc_RedundantCartesianIter.3 \
+sc_RedundantCartesianSubIter.3 \
+sc_Ref.3 \
+sc_RefBase.3 \
+sc_RefCount.3 \
+sc_RefDiagSCMatrix.3 \
+sc_RefSCDimension.3 \
+sc_RefSCMatrix.3 \
+sc_RefSCVector.3 \
+sc_RefSymmSCMatrix.3 \
+sc_ReplSCMatrixKit.3 \
+sc_Result.3 \
+sc_ResultInfo.3 \
+sc_SCBlockInfo.3 \
+sc_SCDimension.3 \
+sc_SCElementOp.3 \
+sc_SCElementOp2.3 \
+sc_SCElementOp3.3 \
+sc_SCExtrapData.3 \
+sc_SCExtrapError.3 \
+sc_SCF.3 \
+sc_SCFormIO.3 \
+sc_SCMatrix.3 \
+sc_SCMatrixBlock.3 \
+sc_SCMatrixBlockIter.3 \
+sc_SCMatrixDiagBlock.3 \
+sc_SCMatrixDiagSubBlock.3 \
+sc_SCMatrixKit.3 \
+sc_SCMatrixLTriBlock.3 \
+sc_SCMatrixLTriSubBlock.3 \
+sc_SCMatrixRectBlock.3 \
+sc_SCMatrixRectSubBlock.3 \
+sc_SCMatrixSubblockIter.3 \
+sc_SCVector.3 \
+sc_SCVectorSimpleBlock.3 \
+sc_SCVectorSimpleSubBlock.3 \
+sc_SOBasis.3 \
+sc_SOTransform.3 \
+sc_SOTransformFunction.3 \
+sc_SOTransformShell.3 \
+sc_SSAccResult.3 \
+sc_SavableState.3 \
+sc_SavableStateProxy.3 \
+sc_ScaledTorsSimpleCo.3 \
+sc_SelfConsistentExtrapolation.3 \
+sc_SetIntCoor.3 \
+sc_Shape.3 \
+sc_ShellRotation.3 \
+sc_ShmMemoryGrp.3 \
+sc_ShmMessageGrp.3 \
+sc_SimpleCo.3 \
+sc_SlaterXFunctional.3 \
+sc_SphericalTransform.3 \
+sc_SphericalTransformComponent.3 \
+sc_SphericalTransformIter.3 \
+sc_StateIn.3 \
+sc_StateInBin.3 \
+sc_StateInFile.3 \
+sc_StateInText.3 \
+sc_StateOut.3 \
+sc_StateOutBin.3 \
+sc_StateOutFile.3 \
+sc_StateOutText.3 \
+sc_StateRecv.3 \
+sc_StateSend.3 \
+sc_StdDenFunctional.3 \
+sc_StreSimpleCo.3 \
+sc_SumDenFunctional.3 \
+sc_SumIntCoor.3 \
+sc_SymRep.3 \
+sc_SymmMolecularCoor.3 \
+sc_SymmSCMatrix.3 \
+sc_SymmetryOperation.3 \
+sc_Thread.3 \
+sc_ThreadGrp.3 \
+sc_ThreadLock.3 \
+sc_TorsSimpleCo.3 \
+sc_TranslateData.3 \
+sc_TranslateDataByteSwap.3 \
+sc_TranslateDataIn.3 \
+sc_TranslateDataOut.3 \
+sc_TwoBodyDerivInt.3 \
+sc_TwoBodyDerivIntV3.3 \
+sc_TwoBodyInt.3 \
+sc_TwoBodyIntV3.3 \
+sc_UnionShape.3 \
+sc_Units.3 \
+sc_UnrestrictedSCF.3 \
+sc_VDWShape.3 \
+sc_VWN1LCFunctional.3 \
+sc_VWN2LCFunctional.3 \
+sc_VWN3LCFunctional.3 \
+sc_VWN4LCFunctional.3 \
+sc_VWN5LCFunctional.3 \
+sc_VWNLCFunctional.3 \
+sc_Volume.3 \
+sc_Wavefunction.3 \
+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 74a7456..391d739 100644
--- a/science/mpqc/pkg-plist
+++ b/science/mpqc/pkg-plist
@@ -6,277 +6,307 @@ bin/sc-mkf77sym
bin/scls
bin/scpr
bin/tkmolrender
-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/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/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/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/oint3/LIBS.h
-include/chemistry/qc/oint3/build.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
-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/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/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/linpackd/LIBS.h
-include/math/linpackd/linpackd.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/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/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/classdefs.h
-include/util/class/classkeydefs.h
-include/util/class/classldefs.h
-include/util/class/proxy.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/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/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/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/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/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/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
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+include/mpqc/%%VERSION%%/chemistry/qc/scf/osshftmpl.h
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+include/mpqc/%%VERSION%%/chemistry/qc/scf/scfops.h
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+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
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+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
lib/libSCbasis.a
lib/libSCclass.a
lib/libSCcontainer.a
@@ -302,1344 +332,1344 @@ lib/libSCstate.a
lib/libSCsymmetry.a
lib/libSCwfn.a
lib/libmpqc.a
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%%PORTDOCS%%@dirrm share/doc/mpqc
share/mpqc/ref/basis1_beh2scf321gd2h.in
share/mpqc/ref/basis1_beh2scf321gd2h.out
@@ -4896,37 +4926,9 @@ share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.qci
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.in
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.out
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.qci
-@dirrm share/mpqc/2.1.2/basis
-@dirrm share/mpqc/2.1.2/elisp
-@dirrm share/mpqc/2.1.2/perl
-@dirrm share/mpqc/2.1.2
+@dirrm share/mpqc/%%VERSION%%/basis
+@dirrm share/mpqc/%%VERSION%%/elisp
+@dirrm share/mpqc/%%VERSION%%/perl
+@dirrm share/mpqc/%%VERSION%%
@dirrm share/mpqc/ref
@dirrm share/mpqc
-@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
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