#                                               -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.

AC_PREREQ(2.59)
AC_INIT(PCP_Utilities, 1.0, heber@ins.uni-bonn.de)
AC_CONFIG_SRCDIR([src/CreateGaAs.c])
AC_CONFIG_HEADER([config.h])

AM_INIT_AUTOMAKE

# Checks for programs.
AC_PROG_CC
AC_PROG_CXX
AC_PATH_PROG([PERL],[perl])
AC_PATH_PROG([PYTHON],[python])
AC_PATH_PROG([SHELL],[sh])
AC_PROG_AWK
AM_MISSING_PROG([DOXYGEN], [doxygen])

# Checks for header files.
AC_HEADER_STDC
AC_CHECK_HEADERS([stdlib.h string.h])

# Checks for typedefs, structures, and compiler characteristics.
AC_C_CONST
AC_TYPE_SIZE_T

# Checks for library functions.
AC_FUNC_MALLOC
AC_FUNC_REALLOC
AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found]))
# check for GNU Scientific Library
AC_CHECK_HEADERS([gsl/gsl_blas.h])
AC_SEARCH_LIBS(dnrm2, goto blas cblas gslblas gslcblas)
AC_CHECK_LIB(gsl, main, [], 
	[AC_SEARCH_LIBS(cblas_dnrm2, blas cblas gslblas gslcblas)])
AC_CHECK_LIB(gsl, gsl_blas_dnrm2, , [AC_MSG_ERROR(["No working BLAS found for GSL, stopping."])])

#AC_MSG_NOTICE(["CFLAGS: $CFLAGS, CXXFLAGS: $CXXFLAGS, LDFLAGS: $LDFLAGS, CC: $CC, CXX:, $CXX, MPICC: $MPICC, MPILIBS: $MPILIBS, LIBS: $LIBS"])

# test suite
AC_CONFIG_TESTDIR(tests)
AC_CONFIG_FILES([tests/atlocal tests/Makefile])
AC_CONFIG_FILES([tests/NanoCreator], [chmod +x tests/NanoCreator])

AC_CHECK_FUNCS([pow sqrt strchr strrchr strstr])
AC_CONFIG_FILES([Makefile doc/Makefile src/Makefile])
AC_CONFIG_FILES([src/AnalysePASFromEllipsoids.py \
		src/AnalyseStressResults.py
		src/Animate.py \
		src/AnimateStereo.py \
		src/CalculateDensity.py \
		src/CalculatePairCorrelation.py \
		src/CalculateSurfaceOfCluster.py \
		src/CalculateXRayFromPDBstep.py \
		src/CreateNeighboursForTIP3.py \
		src/convertHessianMPQC2PCP.py \
		src/convertMPQCout2pcp.py \
		src/convertPCP2MPQC.py \
		src/convertXDataToXYData.py \
		src/CreateAllVspeShapes.py \
		src/CreateVspeShapes.py \
		src/CutBlockFromPDB.py \
		src/FindInnerPointsinBB.py \
		src/FindNonTriplesTIP3.py \
		src/GetBondedPairs.py \
		src/GetBondsFromPDB.py \
		src/GetIDsOfBorderAtoms.py \
		src/LinearlyInterpolateBetweenPCPConfigs.py \
		src/OutputRaster3DHeader.py \
		src/PairCorrelationTIP3toResiduum.py \
		src/PairCorrelationToCluster.py \
		src/PairCorrelationToClusterSurface.py \
		src/PrepareStoneWalesDefects.py \
		src/ReduceDBondFiletoSubset.py \
		src/ReMapDBondFileFromXYZ.py \
		src/ReMapDBondFile.py \
		src/RemoveConvexPart.py \
		src/RemoveRandomAtoms.py \
		src/RestorePDBfromGrape.py \
		src/ShiftPeriodic.py \
		])
AC_CONFIG_FILES([src/Nanotubes.pl \
		src/ReSequenceDX.pl \
		src/BOSSMatcher.pl \
		])
AC_CONFIG_FILES([src/average_result.sh \
		src/AdaptiveANOVA.sh \
		src/CalculateDensityfromConfig.sh \
		src/CalculateMass.sh \
		src/CreateFromXYZ.sh \
		src/config2xyz.sh \
		src/convert2old.sh \
		src/convertpdb.sh \
		src/dynamicANOVA.sh \
		src/gather_all_results.sh \
		src/gather_averaged_results.sh \
		src/gather_result.sh \
		src/grep_shielding.sh \
		src/meas2pdb.sh \
		src/SortByRings.sh])
AC_OUTPUT