Conversation
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## master #198 +/- ##
==========================================
- Coverage 70.64% 70.64% -0.01%
==========================================
Files 157 157
Lines 21185 21185
Branches 2587 2587
==========================================
- Hits 14967 14966 -1
- Misses 5355 5356 +1
Partials 863 863 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
Updated LD_LIBRARY_PATH for Intel compiler and modified scipy installation command.
Add MKL configuration for BLAS and LAPACK in CI.
Added optimization flags to CFLAGS and CXXFLAGS for improved performance.
Updated CI workflow to install pkg-config and cmake with apt-get, and modified numpy and scipy installation to use MKL.
Added installation step for PySCF with MKL BLAS hint.
Updated pip install command for PySCF to include no-build-isolation flag.
Updated CMAKE_ARGS to use specific MKL library path.
Updated LDFLAGS to include additional libraries for linking.
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
1 participant
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Removes python 3.10 and add python 3.14.
Some changes required to fix compilation issues for numpy, scipy and pyscf with Intel oneAPI in the CI.
Updated docs script to exclude vayesta/libs.
Now tracks EBCC master instead of specified version. This is due to a recent fix to support numpy.einsum_path for numpy>2.4.0.