garden-install-helper

#!/bin/sh
eval "$(garden-exec)"
set -e

NAME=msys

# module versions that scripts in ./tools need to know
. ./env.sh

# shared library dependencies
SCONS=scons/3.1.2-01c7
GCC=gcc/11.2.0-04c7/
BOOST=boost/1.75.0-gcc11.2-py3.10-02c7/
LPSOLVE=lp-solve/5.5.2.0-01c7
INCHI=inchi/1.05-01c7
SQLITE=sqlite/3.32.2-02c7
SCONSUTILS=sconsutils/1.55c7
RAPIDJSON=rapidjson/1.1.0-01c7
TNG=tng/1.8.2-03c7
GBENCH=gbench/1.5.0-02c7
PYBIND11=pybind11/2.7.1-01c7
BLISS=bliss/0.73-02c7
CEREAL=cereal/1.3.2-01c7
PERFTOOLS=gperftools/2.7-01c7
LZ4=lz4/1.9.1-01c7
ZSTD=zstd/1.4.4-01c7

loadmodules() {
    garden load \
        $GCC/bin \
        $PYTHON3/bin \
        $SCONS/bin \
        $SCONS/lib-python37 \
        $BOOST/lib \
        $LPSOLVE/lib \
        $INCHI/lib \
        $SQLITE/lib-static \
        $SCONSUTILS/lib-python37 \
        $RAPIDJSON/lib \
        $TNG/lib \
        $GBENCH/lib \
        $PYBIND11/lib \
        $BLISS/lib \
        $CEREAL/lib \
        $PERFTOOLS/lib \
        $LZ4/lib \
        $ZSTD/lib \
        enscons/0.23.0-01c7/lib-python37 \
        texlive/2019-20190410-01c7/bin \

    export PYTHONVER=310
    export MSYS_WITH_LPSOLVE=1
    export MSYS_WITH_INCHI=1
    export MSYS_WITH_TNG=1
    export MSYS_WITH_BENCHMARK=1
    export MSYS_WITH_BLISS=1
    export MSYS_WITH_LZ4=1
    export MSYS_WITH_ZSTD=1
}

genmodules() {
    cat << EOF > $GARDENDIR/lib-python310
prepend-path PYTHONPATH $PREFIX/lib/python
EOF

    # library
    cat << EOF > $GARDENDIR/lib
prepend-path DESRES_MODULE_CPPFLAGS -I$PREFIX/include
prepend-path DESRES_MODULE_LDFLAGS  -L$PREFIX/lib:-Wl,-rpath,$PREFIX/lib
prereq $BOOST/lib
prereq $PYBIND11/lib
EOF

    # executables
    cat << EOF > $GARDENDIR/bin
prepend-path PATH $PREFIX/bin
EOF
}

genhelp() {
    cat <<EOF
Molecular structure and forcefield tools.

Release notes:

EOF
cat doc/source/release_notes.txt
}

gendocs() {
    prefix=${PREFIX:-$PWD/build}
    (cd doc && BINDIR=$prefix/bin garden with -m $PYTHON3/bin make clean genhelp html latexpdf)
    cp -r doc/build/html $PREFIX/doc/
}

case $1 in
    --name)
        echo $NAME
        ;;
    --version)
	echo `src/version.py`c7
        ;;
    --exec)
        shift
	loadmodules
        "$@"
        ;;
    --install)
	loadmodules

        nprocs=`getconf _NPROCESSORS_ONLN`
        $0 --exec scons install -j $nprocs PREFIX=$PREFIX OBJDIR=$TMPDIR
        ./tests/run.sh -n `nproc`
	genhelp >> $METADIR/help.txt
	genmodules
        gendocs

        ;;
esac

exit 0