premake

#!/bin/sh
#
# This script allows the sketcher repo to be built using buildinger
# (the Schrodinger internal build system)
#

# Parse command line arguments
BUILD_TYPE="Release"
while [ $# -gt 0 ]; do
    case "$1" in
    -g) BUILD_TYPE="Debug"; shift ;;
    *) echo "Unrecognized option $1"; exit 1 ;;
    esac
done

# Source build environment and set error handling
. $SCHRODINGER_SRC/mmshare/build_env
set -euo pipefail

# Define directory paths
SRC_DIR=$SCHRODINGER_SRC/sketcher
BUILD_DIR=$SCHRODINGER/sketcher
# SCHRODINGER_LIB is exported by build_env and points at the package factory
# environment selected for this build (e.g. schrodinger, schrodinger-gfortran).
PF_DIR=$SCHRODINGER_LIB
if [[ "$OSTYPE" == "msys" ]]; then
    PF_DIR=$(cygpath -m $PF_DIR)
fi
ZLIB_DIR=$(ls -d $PF_DIR/zlib-*)
EIGEN_DIR=$(ls -d $PF_DIR/share/eigen3)
COORDGEN_DIR=$(ls -d $PF_DIR/coordgenlibs-*/lib/cmake)
# Some environments install maeparser into its own versioned directory, while
# others install it flat into the environment's top level lib directory.
MAEPARSER_DIR=$(ls -d $PF_DIR/maeparser-*/lib/cmake 2>/dev/null || echo $PF_DIR/lib/cmake)
SQLITE_DIR=$(ls -d $PF_DIR/sqlite-*)
XZ_DIR=$(ls -d $PF_DIR/xz-*)
ZSTD_DIR=$(ls -d $PF_DIR/zstd-*)

# Build CMake prefix path
CMAKE_PREFIX_PATH="$PF_DIR;$ZLIB_DIR;$EIGEN_DIR;$COORDGEN_DIR;$MAEPARSER_DIR;$SQLITE_DIR"

# Some package factory libraries record install names pointing at the build
# machine's staging paths, so dyld needs to be told where they really are.
# macOS strips DYLD_* across /bin/sh, which both $SCHRODINGER/run and the
# pytest console script are, so re-inject it and start pytest from python.
PYTEST_CMD="$SCHRODINGER/run pytest"
if [[ "$OSTYPE" == darwin* ]]; then
    PYTEST_CMD="$SCHRODINGER/run /usr/bin/env DYLD_LIBRARY_PATH=$ZLIB_DIR/lib:$XZ_DIR/lib:$SQLITE_DIR/lib python3 $SCHRODINGER/internal/bin/pytest"
fi

# The prebuilt RDKit libraries have transitive dependencies (e.g. libexpat)
# that live in the environment's top level lib directory. CMake only derives
# rpaths from the directories we link against, so add it explicitly; libzstd
# likewise, from its own versioned directory.
BUILD_RPATH="$PF_DIR/lib;$ZSTD_DIR/lib"

# Configure compiler for Windows
CXX_COMPILER=""
if [[ "$OSTYPE" == "msys" ]]; then
    CXX_COMPILER=$(cygpath `which cl.exe`)
fi

# Ensure build directory exists
mkdir -p "$BUILD_DIR"

# Update rpaths for shared libraries on MacOS
POST_BUILD_COMMANDS=""
if [[ "$OSTYPE" == darwin* ]]; then
    # zlib, xz and sqlite ship install names pointing at build staging paths,
    # which rpath cannot redirect; rewrite them to the macOS copies. Read them
    # from the packages as rebuilds change them. grep avoids re-signing
    # libraries that need nothing.
    ZLIB_ID=$(otool -D $ZLIB_DIR/lib/libz.1.dylib | tail -1)
    XZ_ID=$(otool -D $XZ_DIR/lib/liblzma.5.dylib | tail -1)
    SQLITE_ID=$(otool -D $SQLITE_DIR/lib/libsqlite3.dylib | tail -1)
    POST_BUILD_COMMANDS="@{ find $BUILD_DIR \\( -name '*.dylib' -o -type f -perm +111 \\) ! -type l; find $PF_DIR/lib -maxdepth 1 -name '*.dylib' ! -type l; } | while read target; do grep -q placehold \"\$\$target\" 2>/dev/null || continue; install_name_tool -change $ZLIB_ID /usr/lib/libz.1.dylib \"\$\$target\"; install_name_tool -change $XZ_ID /usr/lib/liblzma.5.dylib \"\$\$target\"; install_name_tool -change $SQLITE_ID /usr/lib/libsqlite3.dylib \"\$\$target\"; done; true"
fi

# Start with a fresh CMake cache if the compiler has moved, since CMake
# considers the compiler immutable after the build tree has been configured.
# Without this, incremental Windows builds will fail whenever mmshare's
# dependencies change, as that causes buildinger to create a new buildvenv
# with a slightly different path, meaning that the path to MSVC will change.
ADDITIONAL_CMAKE_CONFIGURE_ARGS=""
if [ -n "$CXX_COMPILER" ]; then
    CACHED_CXX_COMPILER=$(sed -n 's/^CMAKE_CXX_COMPILER:[^=]*=//p' \
        "$BUILD_DIR/CMakeCache.txt" 2>/dev/null || true)
    NORMALIZED_CXX_COMPILER=$(cygpath -m "$CXX_COMPILER")
    NORMALIZED_CACHED_CXX_COMPILER=""
    if [ -n "$CACHED_CXX_COMPILER" ]; then
        NORMALIZED_CACHED_CXX_COMPILER=$(cygpath -m "$CACHED_CXX_COMPILER")
    fi
    if [ "$NORMALIZED_CACHED_CXX_COMPILER" != "$NORMALIZED_CXX_COMPILER" ]; then
        ADDITIONAL_CMAKE_CONFIGURE_ARGS="--fresh"
    fi
fi

# Generate Makefile wrapper
cat > "$BUILD_DIR/Makefile" << EOF
.PHONY: all test memtest

all:
	cmake -B "$BUILD_DIR" \\
	      -S "$SRC_DIR" \\
	      -G Ninja \\
	      -DCMAKE_BUILD_TYPE="$BUILD_TYPE" \\
	      -DENFORCE_DEPENDENCY_VERSIONS=OFF \\
	      -DBUILD_SHARED_LIBS=ON \\
	      -DCMAKE_PREFIX_PATH="$CMAKE_PREFIX_PATH" \\
	      -DCMAKE_BUILD_RPATH="$BUILD_RPATH" \\
	      ${CXX_COMPILER:+-DCMAKE_CXX_COMPILER="$CXX_COMPILER"} \\
          $ADDITIONAL_CMAKE_CONFIGURE_ARGS
	cmake --build $BUILD_DIR --config $BUILD_TYPE
	cmake --install $BUILD_DIR --config $BUILD_TYPE --prefix $BUILD_DIR
	$POST_BUILD_COMMANDS

test:
	SKETCHER_SOURCE_DIR=$SRC_DIR $PYTEST_CMD --rootdir=$BUILD_DIR -n auto \$(TEST_ARGS)

memtest:
	$SCHRODINGER/run ctest --build-config $BUILD_TYPE --test-dir $SCHRODINGER/sketcher -L memtest --output-on-failure
EOF

# buildinger expects stdout to define variables
echo "BUILD_DIR: $BUILD_DIR"