From 783ba88a5815547023457432fde08d8a62ebbfb4 Mon Sep 17 00:00:00 2001
From: Matthew Evans <git@ml-evs.science>
Date: Thu, 22 Feb 2024 14:27:27 +0000
Subject: [PATCH] Add a CI run that only tests non-optional deps
(optimistically)
- Hopefully all tests have been written in such a way that they will be
skipped if the underlying required package is not found
---
.github/workflows/test.yml | 32 ++++++++++++++++++++++----------
1 file changed, 22 insertions(+), 10 deletions(-)
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 24b61d90aac..787646784a9 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -66,26 +66,38 @@ jobs:
run: |
sudo cp cmd_line/gulp/Linux_64bit/* /usr/local/bin/
+ - name: Install pymatgen and mandatory testing dependencies only
+ run: |
+ micromamba activate pmg
+
+ uv pip install -e '.[dev]'
+
+ - name: pytest split ${{ matrix.split }}
+ run: |
+ micromamba activate pmg
+ pytest --splits 10 --group ${{ matrix.split }} --durations-path tests/files/.pytest-split-durations tests
+
- name: Install ubuntu-only conda dependencies
if: matrix.os == 'ubuntu-latest'
run: |
micromamba install -n pmg -c conda-forge enumlib packmol bader openbabel openff-toolkit --yes
- - name: Install pymatgen and dependencies
+ - name: Install all optional dependencies with workarounds
run: |
- micromamba activate pmg
- # TODO remove temporary fix. added since uv install torch is flaky.
- # track https://github.com/astral-sh/uv/issues/1921 for resolution
- pip install torch
+ micromamba activate pmg
- uv pip install numpy cython
+ # TODO remove temporary fix. added since uv install torch is flaky.
+ # track https://github.com/astral-sh/uv/issues/1921 for resolution
+ pip install torch
- uv pip install --editable '.[dev,optional]'
+ uv pip install numpy cython
- # TODO remove next line installing ase from main branch when FrechetCellFilter is released
- uv pip install --upgrade 'git+https://gitlab.com/ase/ase'
+ uv pip install --editable '.[dev,optional]'
- - name: pytest split ${{ matrix.split }}
+ # TODO remove next line installing ase from main branch when FrechetCellFilter is released
+ uv pip install --upgrade 'git+https://gitlab.com/ase/ase'
+
+ - name: Optional deps - pytest split ${{ matrix.split }}
run: |
micromamba activate pmg
pytest --splits 10 --group ${{ matrix.split }} --durations-path tests/files/.pytest-split-durations tests