Fix the problem mpqc and mpqc-mpich port

produces two identical packages.

2 files changed, 250 insertions, 0 deletions

diff --git a/science/mpqc/files/manpages b/science/mpqc/files/manpages
new file mode 100644
index 0000000..f1dd2f7
--- /dev/null
+++ b/science/mpqc/files/manpages
@@ -0,0 +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
diff --git a/science/mpqc/files/patch-::src::bin::mpqc::parse.yy b/science/mpqc/files/patch-::src::bin::mpqc::parse.yy
new file mode 100644
index 0000000..b889544
--- /dev/null
+++ b/science/mpqc/files/patch-::src::bin::mpqc::parse.yy
@@ -0,0 +1,18 @@
+--- src/bin/mpqc/parse.yy.orig	Mon Nov 18 17:18:27 2002
++++ src/bin/mpqc/parse.yy	Mon Nov 18 17:18:43 2002
+@@ -117,6 +117,7 @@
+             ;
+ 
+ molecule:       molecule_options_list atoms
++            ;
+ 
+ atoms:          atoms atom
+             |
+@@ -124,6 +125,7 @@
+ 
+ atom:           string string string string atom_options_list
+                                                 { add_atom($1,$2,$3,$4); }
++            ;
+ 
+ atom_options_list:
+                 T_BEG_OPT atom_options T_END_OPT