diff --git a/.github/workflows/main.yml b/.github/workflows/main.yml index c0551e7..3ceb7a6 100644 --- a/.github/workflows/main.yml +++ b/.github/workflows/main.yml @@ -44,11 +44,11 @@ jobs: conda activate test conda install --file requirements/run.txt conda install --file requirements/test.txt - pip install . + pip install -e . - name: Validate diffpy.structure shell: bash -l {0} run: | conda activate test - coverage run -m pytest -vv -s + coverage run -m diffpy.structure.tests.run coverage report -m codecov diff --git a/environment.yml b/environment.yml new file mode 100644 index 0000000..c7cd23c --- /dev/null +++ b/environment.yml @@ -0,0 +1,6 @@ +name: diffpy.structure +channels: + - conda-forge +dependencies: + - python=3 + - pip diff --git a/requirements/run.txt b/requirements/run.txt index e69de29..cdc2699 100644 --- a/requirements/run.txt +++ b/requirements/run.txt @@ -0,0 +1,3 @@ +numpy < 2.0.0 # Need to fix deprecations before 2.0.0 compat +pycifrw +six diff --git a/src/diffpy/structure/lattice.py b/src/diffpy/structure/lattice.py index 4924850..0139495 100644 --- a/src/diffpy/structure/lattice.py +++ b/src/diffpy/structure/lattice.py @@ -25,7 +25,7 @@ import numpy import numpy.linalg as numalg -from diffpy.structure import LatticeError +from diffpy.structure.structureerrors import LatticeError # Helper Functions -----------------------------------------------------------