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Revert "create python directory and add TODO objectives"

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This reverts commit 6ce91a6669.
This commit is contained in:
q-posev 2021-08-04 12:07:27 +03:00
parent 6ce91a6669
commit 9a28b8d4bc
6 changed files with 5 additions and 20 deletions
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0
python/MANIFEST.in → MANIFEST.in
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python/pyproject.toml → pyproject.toml
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python/setup.cfg → setup.cfg
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python/setup.py → setup.py
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19
python/test.py → src/test.py
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@ -4,15 +4,6 @@ import shutil
from pytrexio import *
# TODO: make a user-friendly more pythonic API that will have to be autogenerated
# add Exception handling
# check of dimensions and call to safe API
# conversion to and from numpy arrays
# automatically download (hopefully the latest version) numpy.i using
# wget https://raw.githubusercontent.com/numpy/numpy/main/tools/swig/numpy.i
# but also keep the original copy in case if wget fails
#=========================================================#
#======== SETUP THE BACK END AND OUTPUT FILE NAME ========#
#=========================================================#
@ -91,18 +82,14 @@ assert rc==TREXIO_SUCCESS
test_file2 = trexio_open(output_filename, 'r', TEST_TREXIO_BACKEND)
# TODO: think about adding exception handling if rc != TREXIO_SUCCESS throw an exception but do not return the code itself and then there is less arguments
# TODO: maybe also for the write
result = trexio_read_nucleus_num(test_file2)
assert result[0]==TREXIO_SUCCESS
assert result[0]==0
assert result[1]==nucleus_num
#print(result)
charges2 = doubleArray(nucleus_num)
print(charges2[3])
#for i in range(nucleus_num):
# charges2[i] = -1.
for i in range(nucleus_num):
charges2[i] = -1.
rc = trexio_read_nucleus_charge(test_file2, charges2)
assert rc==TREXIO_SUCCESS

6
python/test-pypi-release-pytrexio.sh → test-pypi-release-pytrexio.sh
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@ -15,9 +15,7 @@ python3 -m pip install dist/pytrexio-0.1-cp38-cp38-linux_x86_64.whl
# Binary wheel 'pytrexio-0.1-cp38-cp38-linux_x86_64.whl' has an unsupported platform tag 'linux_x86_64'.
# when uploading the wheel instead of the tar.gz file to testpypi
# This is a well-known issue, see https://stackoverflow.com/questions/59451069/binary-wheel-cant-be-uploaded-on-pypi-using-twine
# TODO: see how SQLite does things since it-s similar to out problem in a way that the have src/ directory with C source and header files and they have master setup.py script to compile and ship it
#python3 -m twine upload --repository testpypi dist/pytrexio-0.1.tar.gz
python3 -m twine upload --repository testpypi dist/pytrexio-0.1.tar.gz
rm -rf build dist pytrexio.egg-info