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CMakeLists.txt
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CMakeLists.txt
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cmake_minimum_required(VERSION 3.13)
cmake_policy(SET CMP0048 NEW)
project(coot)
find_package(PkgConfig)
set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
if (NOT CMAKE_BUILD_TYPE AND NOT CMAKE_CONFIGURATION_TYPES)
set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build." FORCE)
set_property(CACHE CMAKE_BUILD_TYPE PROPERTY STRINGS "Debug" "Release" "MinSizeRel" "RelWithDebInfo")
endif()
set(CMAKE_CXX_STANDARD 17)
if (APPLE)
else()
find_package(CCP4 REQUIRED mmdb2 ssm clipper-core clipper-mmdb clipper-ccp4 clipper-contrib clipper-minimol clipper-cif)
endif(APPLE)
find_package(BLAS)
find_package(GSL REQUIRED)
find_package(PNG REQUIRED)
find_package(GEMMI REQUIRED)
find_package(Threads REQUIRED)
find_package(Python REQUIRED)
find_package(Boost COMPONENTS iostreams system python regex thread serialization REQUIRED)
find_package(glm REQUIRED)
set(THREADS_PREFER_PTHREAD_FLAG ON)
# Charles wants 3.9 here, but if I change to 3.9 then it will not build for me
# Hmm...
# What do I need to do here so that Charles can specify on the command line what the version of Python should be?
find_package(Python 3.10
REQUIRED COMPONENTS Interpreter Development.Module
OPTIONAL_COMPONENTS Development.SABIModule)
find_package(nanobind CONFIG REQUIRED)
# only via homebrew on macOS (not tried to compile them myself) - see below also though.
if (APPLE)
else()
find_library(libelf elf)
find_library(libdwarf dw)
endif(APPLE)
# From Charles
if (WIN32)
string(REPLACE "\\" "/" Python_SITEARCH "${Python_SITEARCH}")
string(REPLACE "\\" "/" Python_SITELIB "${Python_SITELIB}")
endif(WIN32)
set(coot_src ${CMAKE_CURRENT_SOURCE_DIR})
add_definitions(-DANALYSE_REFINEMENT_TIMING -DPACKAGE_VERSION="1"
-DHAVE_CXX_THREAD -DHAVE_SSMLIB -DHAVE_BOOST -DUSE_LIBPNG=1 -DCLIPPER_HAS_TOP8000 -DUSE_GEMMI -DHAVE_BOOST_THREAD -DHAVE_GSL
-DPKGDATADIR="${CMAKE_INSTALL_PREFIX}/share/coot" -DXDATADIR="${CMAKE_INSTALL_PREFIX}/share")
add_definitions(-DMAKE_ENHANCED_LIGAND_TOOLS)
message("-- Found ENHANCED_LIGAND_TOOLS setting - now requiring the RDKit")
find_package(Cairo REQUIRED)
find_package(RDKit CONFIG COMPONENTS RDGeneral REQUIRED)
set(RDKit_libs_for_libcootapi RDKit::rdkit_base RDKit::Descriptors RDKit::ForceFieldHelpers RDKit::ForceField RDKit::Optimizer RDKit::MolDraw2D RDKit::MolChemicalFeatures)
# we can be on Apple, and also have access to homebrew dwarf and elf - but this typically not the case
# should this actually be ENABLE_BACKWARD? (util/backward.cpp is not conditionally compiled)
if (ENABLE_DWARF_ELF)
find_library(libelf elf)
find_library(libdwarf dw)
add_definitions(-DBACKWARD_HAS_DW)
message("-- Enabled dwarf and elf")
endif()
# pyrogen, auxil, goograph, src ignored.
add_library(cootapi SHARED
${coot_src}/lidia-core/svg-molecule.cc
${coot_src}/lidia-core/cod-types.cc
${coot_src}/lidia-core/cod-atom-types.cc
${coot_src}/lidia-core/chemical-feature-clusters.cc
${coot_src}/lidia-core/bond-record-container-t.cc
${coot_src}/lidia-core/atom-types.cc
${coot_src}/lidia-core/cod-atom-type-t.cc
${coot_src}/lidia-core/rdkit-interface.cc
${coot_src}/lidia-core/bond-table-record-t.cc
${coot_src}/pli/pi-stacking.cc
${coot_src}/src/coot-hydrogens.cc
${coot_src}/src/cfc.cc
${coot_src}/MoleculesToTriangles/CXXSurface/CXXBall.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXChargeTable.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXCircle.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXCircleNode.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXCoord.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXCreator.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXException.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXFFTSolventMap.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXFortranFile.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXNewHood.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXQADSurface.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXQADSurfaceStaticData.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSpace.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSphereElement.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSphereNode.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSphereTriangle.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSphereTriangleEdge.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSurface.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSurfaceMaker.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXSurfaceVertex.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXTorusElement.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXTorusNode.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXTriangle.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXUtils.cpp
${coot_src}/MoleculesToTriangles/CXXSurface/CXXVCN.cpp
#${coot_src}/MoleculesToTriangles/CXXSurface/ElectroSurface.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/AtomPropertyRampColorRule.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/BallsPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/BondsPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/BoxSectionPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/ColorRule.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/ColorScheme.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/CompoundSelection.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/CXXMatrix.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/CylinderPoint.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/CylindersPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/DirectedPositionedEntity.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/DiscreteSegment.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/DishyBase.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/DisplayPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/ElectrostaticColorScheme.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/FlatFanPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Light.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/LinesPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/MolecularRepresentation.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/MolecularRepresentationInstance.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/MyMolecule.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/NRStuff.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/oglPolyhedron.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Polyhedron.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/PositionedEntity.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Quaternion.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Renderer.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Representation.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/RepresentationInstance.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/RotatedTranslatedScaledEntity.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/SecondaryColorScheme.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/SolidColorRule.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/SpherePrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/SticksPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/SurfacePrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Vector2.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/Vector3.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/VertexColorNormalPrimitive.cpp
${coot_src}/MoleculesToTriangles/CXXClasses/lfit.c
${coot_src}/api/rigid-body-fit.cc
${coot_src}/api/blender-mesh.cc
${coot_src}/api/add-terminal-residue.cc
${coot_src}/api/interfaces.cc
${coot_src}/api/instancing.cc
${coot_src}/api/colour-functions.cc
${coot_src}/api/coot-colour.cc
${coot_src}/api/coot-molecule.cc
${coot_src}/api/coot-molecule-backup.cc
${coot_src}/api/coot-molecule-blender.cc
${coot_src}/api/coot-molecule-bonds.cc
${coot_src}/api/coot-molecule-bonds-instanced.cc
${coot_src}/api/coot-molecule-maps.cc
${coot_src}/api/coot-molecule-change-chain-id.cc
${coot_src}/api/coot-molecule-moltris.cc
${coot_src}/api/coot-molecule-validation.cc
${coot_src}/api/coot-molecule-merge-molecules.cc
${coot_src}/api/coot-molecule-modelling.cc
${coot_src}/api/coot-molecule-refine.cc
${coot_src}/api/coot-molecule-replace-fragment.cc
${coot_src}/api/molecules-container-blender.cc
${coot_src}/api/molecules-container.cc
${coot_src}/api/molecules-container-gltf.cc
${coot_src}/api/molecules-container-bucca-ml-growing.cc
${coot_src}/api/molecules-container-maps.cc
${coot_src}/api/molecules-container-mmrrcc.cc
${coot_src}/api/molecules-container-superpose.cc
${coot_src}/api/molecules-container-modelling.cc
${coot_src}/api/molecules-container-ligand-fitting.cc
${coot_src}/api/mmcif-tests.cc
${coot_src}/api/phi-psi-prob.cc
${coot_src}/api/moorhen-h-bonds.cc
${coot_src}/api/add-terminal-residue.cc
${coot_src}/api/rama-plot-phi-psi.cc
${coot_src}/analysis/daca.cc
${coot_src}/analysis/kolmogorov.cc
${coot_src}/analysis/stats.cc
${coot_src}/analysis/bfkurt.cc
${coot_src}/analysis/mogul.cc
${coot_src}/analysis/b-factor-histogram.cc
${coot_src}/analysis/typed-distances.cc
${coot_src}/analysis/cablam.cc
${coot_src}/density-contour/density-contour-triangles.cc
${coot_src}/density-contour/Vectors.cpp
${coot_src}/density-contour/CIsoSurface.cpp
${coot_src}/density-contour/occlusion.cc
${coot_src}/density-contour/gaussian-surface.cc
${coot_src}/ccp4mg-utils/quat.cc
${coot_src}/ccp4mg-utils/mgtree.cc
${coot_src}/ccp4mg-utils/cartesian.cc
${coot_src}/ccp4mg-utils/geomutil.cc
${coot_src}/ccp4mg-utils/matrix.cc
${coot_src}/skeleton/dm-utils.cc
${coot_src}/skeleton/BuildCas.cc
${coot_src}/skeleton/graphical_skel.cc
${coot_src}/ideal/pepflip.cc
${coot_src}/ideal/parallel-planes.cc
${coot_src}/ideal/simple-restraint.cc
${coot_src}/ideal/ng.cc
${coot_src}/ideal/torsion-bonds.cc
${coot_src}/ideal/chi-squareds.cc
${coot_src}/ideal/trans-peptide.cc
${coot_src}/ideal/model-bond-deltas.cc
${coot_src}/ideal/make-restraints.cc
${coot_src}/ideal/pull-restraint.cc
${coot_src}/ideal/neutron.cc
${coot_src}/ideal/coot-compare-residues.cc
${coot_src}/ideal/link-restraints.cc
${coot_src}/ideal/mods.cc
${coot_src}/ideal/extra-restraints-kk.cc
${coot_src}/ideal/chirals.cc
${coot_src}/ideal/extra-restraints.cc
${coot_src}/ideal/gradients.cc
${coot_src}/ideal/regularize-minimol.cc
${coot_src}/ideal/flanking.cc
${coot_src}/ideal/distortion.cc
${coot_src}/ideal/simple-restraint-kk.cc
${coot_src}/ideal/crankshaft.cc
${coot_src}/ideal/phi-psi.cc
${coot_src}/ideal/lograma.cpp
${coot_src}/ideal/process-dfs-in-range.cc
${coot_src}/ideal/zo-rama.cc
${coot_src}/utils/align-utils.cc
${coot_src}/utils/base64-encode-decode.cc
${coot_src}/utils/atomic-numbers.cc
${coot_src}/utils/backward.cpp
${coot_src}/utils/colour-holder.cc
${coot_src}/utils/coot-fasta.cc
${coot_src}/utils/coot-utils.cc
${coot_src}/utils/dodec.cc
${coot_src}/utils/radix.cc
${coot_src}/utils/gdk-keysyms.cc
${coot_src}/utils/hsv-rgb.cc
${coot_src}/utils/pir-alignment.cc
${coot_src}/utils/setup-syminfo.cc
${coot_src}/utils/split-indices.cc
${coot_src}/utils/logging.cc
${coot_src}/utils/threads.cc
${coot_src}/utils/win-compat.cc
${coot_src}/db-main/db-strands.cc
${coot_src}/high-res/residue-distortions.cc
${coot_src}/high-res/coot-atom-graph.cc
${coot_src}/high-res/sequence-assignment.cc
${coot_src}/high-res/high-res.cc
${coot_src}/protein_db/protein_db.cpp
${coot_src}/protein_db/protein_db_utils.cpp
${coot_src}/protein_db/rna_db.cpp
${coot_src}/pli/specs.cc
${coot_src}/pli/flev-annotations.cc
${coot_src}/pli/protein-ligand-interactions.cc
${coot_src}/pli/pi-stacking.cc
${coot_src}/pli/sdf-interface.cc
${coot_src}/coot-utils/cmtz-interface.cc
${coot_src}/coot-utils/lidia-core-functions.cc
${coot_src}/coot-utils/atom-selection-container.cc
${coot_src}/coot-utils/merge-atom-selections.cc
${coot_src}/coot-utils/coot-least-squares.cc
${coot_src}/coot-utils/diff-diff-map-peaks.cc
${coot_src}/coot-utils/gltf-export.cc
${coot_src}/coot-utils/shiftfield.cpp
${coot_src}/coot-utils/stack-and-pair.cc
${coot_src}/coot-utils/spherical-harmonics.cc
${coot_src}/coot-utils/peak-search-from-list.cc
${coot_src}/coot-utils/helix-analysis.cc
${coot_src}/coot-utils/segmap.cc
${coot_src}/coot-utils/lidia-core-functions.cc
${coot_src}/coot-utils/cablam-markup.cc
${coot_src}/coot-utils/fib-sphere.cc
${coot_src}/coot-utils/find-water-baddies.cc
${coot_src}/coot-utils/atom-selection-container.cc
${coot_src}/coot-utils/blob-line.cc
${coot_src}/coot-utils/coot-coord-utils-glyco.cc
${coot_src}/coot-utils/coot-coord-utils.cc
${coot_src}/coot-utils/merge-molecules.cc
${coot_src}/coot-utils/texture-as-floats.cc
${coot_src}/coot-utils/coot-coord-extras.cc
${coot_src}/coot-utils/water-coordination.cc
${coot_src}/coot-utils/bonded-pairs.cc
${coot_src}/coot-utils/c-beta-deviations.cc
${coot_src}/coot-utils/atom-tools.cc
${coot_src}/coot-utils/coot-rama.cc
${coot_src}/coot-utils/secondary-structure-headers.cc
${coot_src}/coot-utils/helix-like.cc
${coot_src}/coot-utils/polar-atoms.cc
${coot_src}/coot-utils/plane-utils.cc
${coot_src}/coot-utils/pae.cc
${coot_src}/coot-utils/coot-tree-extras.cc
${coot_src}/coot-utils/coot-map-heavy.cc
${coot_src}/coot-utils/jed-flip.cc
${coot_src}/coot-utils/pepflip-using-difference-map.cc
${coot_src}/coot-utils/atom-overlaps.cc
${coot_src}/coot-utils/bricks.cc
${coot_src}/coot-utils/mutate.cc
${coot_src}/coot-utils/elastic.cc
${coot_src}/coot-utils/coot-map-utils.cc
${coot_src}/coot-utils/coot-h-bonds.cc
${coot_src}/coot-utils/coot-coord-utils-nucleotides.cc
${coot_src}/coot-utils/glyco-torsions.cc
${coot_src}/coot-utils/fast-eigens.cc
${coot_src}/coot-utils/coot-shelx-ins.cc
${coot_src}/coot-utils/contacts-by-bricks.cc
${coot_src}/coot-utils/lsq-improve.cc
${coot_src}/coot-utils/merge-C-and-N-terminii.cc
${coot_src}/coot-utils/trim.cc
${coot_src}/coot-utils/coot_shiftfield.cpp
${coot_src}/coot-utils/coot-fffear.cc
${coot_src}/coot-utils/coot-coord-lsq.cc
${coot_src}/coot-utils/strand-fragments.cc
${coot_src}/coot-utils/bonded-atoms.cc
${coot_src}/coot-utils/fragment-container.cc
${coot_src}/coot-utils/positron.cc
${coot_src}/coot-utils/maps-spherical.cc
${coot_src}/coot-utils/peak-search.cc
${coot_src}/coot-utils/xmap-stats.cc
${coot_src}/coot-utils/sfcalc-genmap.cc
${coot_src}/coot-utils/reduce.cc
${coot_src}/coot-utils/contact-info.cc
${coot_src}/coot-utils/hole.cc
${coot_src}/coot-utils/slurp-map.cc
${coot_src}/coot-utils/read-sm-cif.cc
${coot_src}/coot-utils/exp-fit.cc
${coot_src}/coot-utils/cylinder.cc
${coot_src}/coot-utils/cylinder-with-rotation-translation.cc
${coot_src}/coot-utils/prideout-octasphere.cc
${coot_src}/coot-utils/oct.cc
${coot_src}/coot-utils/shapes.cc
${coot_src}/coot-utils/simple-mesh.cc
${coot_src}/coords/phenix-geo-bonds.cc
${coot_src}/coords/Bond_lines_ext.cc
${coot_src}/coords/mmdb-crystal.cc
${coot_src}/coords/utils.cc
${coot_src}/coords/phenix-geo.cc
${coot_src}/coords/mmdb.cc
${coot_src}/coords/Cartesian.cc
${coot_src}/coords/loop-path.cc
${coot_src}/coords/coot-close.cc
${coot_src}/coords/cos-sin.cc
${coot_src}/coords/rotamer-markup.cc
${coot_src}/coords/mmdb-extras.cc
${coot_src}/coords/Bond_lines.cc
${coot_src}/geometry/cif-parse-link.cc
${coot_src}/geometry/cif-parse.cc
${coot_src}/geometry/main-chain.cc
${coot_src}/geometry/cif-parse-mon-lib.cc
${coot_src}/geometry/protein-geometry.cc
${coot_src}/geometry/dictionary-residue.cc
${coot_src}/geometry/dict-utils.cc
${coot_src}/geometry/read-sbase.cc
${coot_src}/geometry/hydrophobic.cc
${coot_src}/geometry/energy-lib.cc
${coot_src}/geometry/srs-interface.cc
${coot_src}/geometry/residue-and-atom-specs.cc
${coot_src}/geometry/protein-geometry-mmdb.cc
${coot_src}/geometry/mol-utils.cc
${coot_src}/geometry/dreiding.cc
${coot_src}/geometry/chem_mods.cc
${coot_src}/geometry/link.cc
${coot_src}/geometry/lbg-graph.cc
${coot_src}/geometry/glyco-tools.cc
${coot_src}/geometry/mol-utils-2.cc
${coot_src}/geometry/protein-donor-acceptors.cc
${coot_src}/geometry/intercept-3GP.cc
${coot_src}/build/CalphaBuild.cc
${coot_src}/mini-mol/mini-mol-utils.cc
${coot_src}/mini-mol/mini-mol.cc
${coot_src}/mini-mol/atom-quads.cc
${coot_src}/cootilus/cootilus-build.cpp
${coot_src}/cootilus/nautilus-join.cpp
${coot_src}/cootilus/nautilus-ss-find.cpp
${coot_src}/cootilus/nautilus-target.cpp
${coot_src}/cootilus/nautilus-tools.cpp
${coot_src}/cootilus/nucleicacid_db.cpp
${coot_src}/lidia-core/lbg-shared.cc
${coot_src}/lidia-core/cod-types.cc
${coot_src}/lidia-core/cod-atom-types.cc
${coot_src}/lidia-core/chemical-feature-clusters.cc
${coot_src}/lidia-core/bond-record-container-t.cc
${coot_src}/lidia-core/atom-types.cc
${coot_src}/lidia-core/cod-atom-type-t.cc
${coot_src}/lidia-core/lbg-molfile.cc
${coot_src}/lidia-core/lig-build.cc
${coot_src}/lidia-core/rdkit-interface.cc
${coot_src}/lidia-core/get-residue.cc
${coot_src}/lidia-core/bond-table-record-t.cc
${coot_src}/angles/AngleInfo-angle-torsions-autogen.cc
${coot_src}/angles/AngleInfo-theta_2-autogen.cc
${coot_src}/angles/AngleInfo.cc
${coot_src}/ligand/dipole.cc
${coot_src}/ligand/dSFMT.c
${coot_src}/ligand/chi-angles.cc
${coot_src}/ligand/monomer-utils.cc
${coot_src}/ligand/ligand-score-card.cc
${coot_src}/ligand/chi-angles-autogen.cc
${coot_src}/ligand/ligand.cc
${coot_src}/ligand/helix-placement.cc
${coot_src}/ligand/backrub-rotamer.cc
${coot_src}/ligand/dunbrack.cc
${coot_src}/ligand/primitive-chi-angles.cc
${coot_src}/ligand/rotamer-tables.cc
${coot_src}/ligand/side-chain-densities.cc
${coot_src}/ligand/richardson-rotamers.cc
${coot_src}/ligand/ligands-db.cc
${coot_src}/ligand/ligand-extras.cc
${coot_src}/ligand/libres-tracer.cc
${coot_src}/ligand/new-residue-by-3-phi-psi.cc
${coot_src}/ligand/rama-rsr-extend-fragments.cc
${coot_src}/ligand/residue_by_phi_psi.cc
${coot_src}/ligand/base-pairing.cc
${coot_src}/ligand/ideal-rna.cc
${coot_src}/ligand/wiggly-ligand.cc
${coot_src}/ligand/torsion-general.cc
${coot_src}/ligand/joining-residues.cc
${coot_src}/ligand/richardson-rotamer.cc
${coot_src}/ligand/side-chain.cc
${coot_src}/ligand/rigid-body.cc
${coot_src}/ligand/smith-waterman.cc
${coot_src}/ligand/tube-finder.cc
${coot_src}/ligand/fast-ss-search.cc
${coot_src}/ligand/rotamer.cc
#${coot_src}/cootaneer/buccaneer-sequence.cpp
#${coot_src}/cootaneer/cootaneer-sequence.cpp
#${coot_src}/cootaneer/buccaneer-lib.cpp
#${coot_src}/cootaneer/buccaneer-prot.cpp
${coot_src}/src/coot-nomenclature.cc
${coot_src}/db-main/db-main.cc
${coot_src}/compat/getopt.cc
${coot_src}/compat/getopt1.cc
${coot_src}/src/gl-matrix.cc
${coot_src}/ideal/write-png.cc
)
nanobind_add_module(chapi ${coot_src}/api/molecules-container-nanobind.cc)
# use MMDB2_INCLUDE_DIR to find the RDKIT for now.
target_include_directories(cootapi PRIVATE ${coot_src} ${coot_src}/coords ${coot_src}/utils ${coot_src}/ccp4mg-utils ${coot_src}/ccp4mg-utils/util ${coot_src}/ccp4mg-utils/pygl ${MMDB2_INCLUDE_DIR} ${SSM_INCLUDE_DIR} ${CLIPPER-CORE_INCLUDE_DIR} ${CLIPPER-MMDB_INCLUDE_DIR} ${CLIPPER-CCP4_INCLUDE_DIR} ${FFTW2_INCLUDE_DIRS} ${RDKit_INCLUDE_DIRS} ${GLM_INCLUDE_DIRS} ${GSL_INCLUDE_DIRS} ${PNG_PNG_INCLUDE_DIR} ${RDKit_INCLUDE_DIR})
# Charles adds Boost::iostreams Boost::filesystem Boost::system. I don't know why Boost::filesystem was added - I have removed it.
target_link_libraries(cootapi PRIVATE ${SSM_LIBRARY} ${CLIPPER-MINIMOL_LIBRARY} ${CLIPPER-MMDB_LIBRARY} ${CLIPPER-CIF_LIBRARY} ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${CLIPPER-CONTRIB_LIBRARY} ${FFTW2_LIBRARY} ${RFFTW2_LIBRARY} ${MMDB2_LIBRARY} ${CCP4C_LIBRARY} ${ZLIB_LIBRARIES} ${GSL_LIBRARIES} ${GSL_CBLAS_LIBRARY} ${RDKit_libs_for_libcootapi} ${PNG_LIBRARY} Boost::iostreams Boost::system gemmi::gemmi_cpp ${libdwarf} ${libelf})
target_compile_features(cootapi PRIVATE cxx_std_17)
# Charles adds this MSVC CXX compiler test
if (CMAKE_CXX_COMPILER_ID STREQUAL "MSVC")
target_compile_options(cootapi PRIVATE
/D_CRT_SECURE_NO_WARNINGS
/D_SILENCE_ALL_CXX17_DEPRECATION_WARNINGS
/bigobj
)
target_link_libraries(cootapi PRIVATE netapi32.lib)
endif()
target_include_directories(chapi PRIVATE ${coot_src} ${coot_src}/coords ${coot_src}/utils ${coot_src}/ccp4mg-utils
${coot_src}/ccp4mg-utils/util ${coot_src}/ccp4mg-utils/pygl
${MMDB2_INCLUDE_DIR} ${SSM_INCLUDE_DIR} ${CLIPPER-CORE_INCLUDE_DIR}
${CLIPPER-MMDB_INCLUDE_DIR} ${CLIPPER-CCP4_INCLUDE_DIR} ${FFTW2_INCLUDE_DIRS}
${RDKit_INCLUDE_DIRS} ${GLM_INCLUDE_DIRS}
${GSL_INCLUDE_DIRS} ${PNG_PNG_INCLUDE_DIR})
add_executable(findligand ${coot_src}/ligand/find-ligand.cc)
add_executable(findwaters ${coot_src}/ligand/find-waters.cc)
add_executable(coot-mini-rsr ${coot_src}/ideal/mini-rsr.cc)
add_executable(res-tracer-libcootapi ${coot_src}/ligand/res-tracer.cc)
add_executable(test-molecules-container ${coot_src}/api/test-molecules-container.cc ${coot_src}/api/filo-tests.cc ${coot_src}/api/lucrezia-tests.cc)
add_executable(mmcif-tests ${coot_src}/api/mmcif-tests-main.cc ${coot_src}/api/mmcif-tests.cc)
target_compile_features(coot-mini-rsr PRIVATE cxx_std_17)
target_compile_features(res-tracer-libcootapi PRIVATE cxx_std_17)
target_link_libraries(chapi PUBLIC cootapi ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${MMDB2_LIBRARY} ${libdwarf} ${libelf})
target_include_directories(findligand PRIVATE ${MMDB2_INCLUDE_DIR} ${coot_src})
target_include_directories(findwaters PRIVATE ${MMDB2_INCLUDE_DIR} ${coot_src})
target_include_directories(coot-mini-rsr PRIVATE ${MMDB2_INCLUDE_DIR} ${coot_src} ${PNG_INCLUDE_DIR})
target_include_directories(res-tracer-libcootapi PRIVATE ${MMDB2_INCLUDE_DIR} ${coot_src} ${PNG_INCLUDE_DIR})
target_link_libraries(findligand PUBLIC cootapi ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${MMDB2_LIBRARY} Threads::Threads)
target_link_libraries(findwaters PUBLIC cootapi ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${MMDB2_LIBRARY})
target_link_libraries(coot-mini-rsr PUBLIC cootapi ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${MMDB2_LIBRARY} Threads::Threads)
target_link_libraries(res-tracer-libcootapi PUBLIC cootapi ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${MMDB2_LIBRARY} Threads::Threads)
target_include_directories(test-molecules-container PRIVATE ${coot_src} ${coot_src}/coords ${coot_src}/utils ${coot_src}/ccp4mg-utils ${coot_src}/ccp4mg-utils/util ${coot_src}/ccp4mg-utils/pygl ${MMDB2_INCLUDE_DIR}/include ${SSM_INCLUDE_DIR} ${CLIPPER-CORE_INCLUDE_DIR} ${CLIPPER-MMDB_INCLUDE_DIR} ${CLIPPER-CCP4_INCLUDE_DIR} ${FFTW2_INCLUDE_DIRS} ${RDKit_INCLUDE_DIRS} ${PNG_INCLUDE_DIR})
target_link_libraries(test-molecules-container PUBLIC cootapi ${SSM_LIBRARY} ${CLIPPER-MINIMOL_LIBRARY} ${CLIPPER-MMDB_LIBRARY} ${CLIPPER-CIF_LIBRARY} ${CLIPPER-CORE_LIBRARY} ${CLIPPER-CCP4_LIBRARY} ${CLIPPER-CONTRIB_LIBRARY} ${FFTW2_LIBRARY} ${RFFTW2_LIBRARY} ${MMDB2_LIBRARY} ${CCP4C_LIBRARY} ${ZLIB_LIBRARIES} ${GSL_LIBRARIES} ${RDKit_libs_for_libcootapi} ${PNG_LIBRARY} gemmi::gemmi_cpp ${libdwarf} ${libelf} Threads::Threads)
target_include_directories(mmcif-tests PRIVATE ${CLIPPER-MMDB_INCLUDE_DIR})
target_link_libraries(mmcif-tests PUBLIC ${MMDB2_LIBRARY})
set_target_properties(cootapi PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
set_target_properties(cootapi PROPERTIES INSTALL_RPATH_USE_LINK_PATH TRUE)
set_target_properties(chapi PROPERTIES INSTALL_RPATH "${CMAKE_INSTALL_PREFIX}/lib")
set_target_properties(chapi PROPERTIES INSTALL_RPATH_USE_LINK_PATH TRUE)
install(TARGETS cootapi)
install(FILES standard-residues.pdb DESTINATION share/coot)
install(FILES data/syminfo.lib DESTINATION share/coot/data)
install(DIRECTORY pdb-templates DESTINATION share/coot)
install(DIRECTORY rama-data DESTINATION share/coot)
install(DIRECTORY data/metal DESTINATION share/coot/data)
# Thanks Charles B.
install(TARGETS chapi DESTINATION ${Python_SITELIB})
install(TARGETS cootapi DESTINATION lib)
# thanks merkys
set_target_properties(cootapi PROPERTIES SOVERSION 1.1)