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trexio/python/install_pytrexio.sh

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#!/bin/bash
set -x
set -e
# the parser below is needed when ./configure outputs several HDF5-related flags, which are then provided as input arguments to this script
for arg in "$@"
do
if [[ $arg == "-L"* ]] && [[ $arg == *"hdf5"* ]]; then
H5_LDFLAGS_LOCAL=$arg
elif [[ $arg == "-I"* ]] && [[ $arg == *"hdf5"* ]]; then
H5_CFLAGS_LOCAL=$arg
fi
done
# check that both variables are set
if [[ -z ${H5_LDFLAGS_LOCAL} ]] || [[ -z ${H5_CFLAGS_LOCAL} ]]; then
echo "Paths to the HDF5 installation are not found. pkgconfig Python package will try to detect them."
else
# additional explicit export was needed on MacOS
export H5_LDFLAGS=${H5_LDFLAGS_LOCAL}
export H5_CFLAGS=${H5_CFLAGS_LOCAL}
fi
# Install/upgrade packages required for the installation
python3 -m pip install --upgrade setuptools wheel twine
python3 -m pip install -r requirements.txt
# export NUMPY_INCLUDEDIR environment variable needed for the proper setup
source tools/set_NUMPY_INCLUDEDIR.sh
if [[ -z ${NUMPY_INCLUDEDIR} ]] ; then
echo "NUMPY_INCLUDEDIR is not set. Check that numpy is installed (e.g. call pip freeze)."
exit 1
fi
# Create build directory and compile extension files (*.c)
# --no-user-cfg disables custom .cfg files of the user machine, so that only setup.cfg is used
python3 -s setup.py --no-user-cfg build
# Local inplace build of the .so module with SWIG-produced pytrexio_wrap.c (from the SWIG documentation)
#python3 setup.py build_ext --inplace --swig-opts="-modern"
# Create distributions:
# 1) sdist produces .tar.gz with all files necessary for manual compilation;
# 2) bdist_whell produces .whl wheel distribution (see https://www.python.org/dev/peps/pep-0425/).
python3 setup.py sdist bdist_wheel
# Install pytrexio in the current environment from the aforementioned wheel
# --force-reinstall is needed here because build-system pre-installs pytrexio in the environment
# but does not install things in the corresponding site-packages directory
python3 -m pip install dist/trexio-*.whl --force-reinstall
# Run the command below in the root directory to install the package in 'editable' (-e) mode without dependencies (--no-deps)
#python -m pip install -e . --no-deps
# Uninstall pytrexio: this only works from the pytrexio root directory
#python3 -m pip uninstall trexio
# Test the current release by uploading to TestPyPI sandbox
#python3 -m twine upload --repository testpypi dist/trexio-*.tar.gz
# Upload updated version of PyTREXIO to PyPI
#python3 -m twine upload dist/trexio-*.tar.gz
# Cleaning
rm -rf build dist trexio.egg-info
# Additional information related to the installation of the TREXIO Python API
#Removing MANIFEST.in leads to issues in the installation. In particular, the .c and .h source files do not get copied
#from the src/ directory into the tar.gz which is produced by setup sdist command.
#These source files are required to build the pytrexio.so extension module, which is needed for the Python API.