diff --git a/.github/workflows/python-publish.yml b/.github/workflows/python-publish.yml index 5ba8147..095269d 100644 --- a/.github/workflows/python-publish.yml +++ b/.github/workflows/python-publish.yml @@ -29,7 +29,7 @@ jobs: - name: Install dependencies run: | python -m pip install --upgrade pip - pip install setuptools wheel twine + pip install setuptools wheel twine pandas # pip install build - name: Build and publish package env: diff --git a/import_serial/import_serial.py b/import_serial/import_serial.py index 58a4e4d..2af0fae 100644 --- a/import_serial/import_serial.py +++ b/import_serial/import_serial.py @@ -10,8 +10,11 @@ import pandas as pd from math import sqrt import json -from cctbx import miller, crystal, uctbx, sgtbx, xray -from cctbx.array_family import flex +try: + from cctbx import miller, crystal, uctbx, sgtbx, xray + from cctbx.array_family import flex +except ModuleNotFoundError: + print("WARNING: ModuleNotFoundError: Module CCTBX was not found.") # TO DO: 3 input files # TO DO: unit cell parameters from stream file # TO DO: check output MTZ