chore: bump LAMMPS to stable_29Aug2024_update1 #4179
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📝 WalkthroughWalkthroughThe changes in this pull request primarily involve updates to the version of the LAMMPS source code referenced across various files. The original version Changes
Sequence Diagram(s)sequenceDiagram
participant User
participant Installer
participant LAMMPS
User->>Installer: Request Installation
Installer->>LAMMPS: Download stable_29Aug2024_update1
LAMMPS-->>Installer: Provide Source Code
Installer->>Installer: Configure Build with stable_29Aug2024_update1
Installer->>Installer: Execute Build Process
Installer-->>User: Installation Complete
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Actionable comments posted: 0
🧹 Outside diff range and nitpick comments (1)
source/install/build_from_c.sh (1)
16-16: LGTM! Consider using a variable for the LAMMPS version.The update to the LAMMPS version aligns with the PR objective. Good job on keeping the build script up-to-date.
For improved maintainability, consider defining the LAMMPS version as a variable at the beginning of the script. This would make future updates easier and reduce the risk of inconsistencies. For example:
set -e +LAMMPS_VERSION="stable_29Aug2024_update1" + SCRIPT_PATH=$(dirname $(realpath -s $0)) if [ -z "$INSTALL_PREFIX" ]; then INSTALL_PREFIX=$(realpath -s ${SCRIPT_PATH}/../../dp) fi mkdir -p ${INSTALL_PREFIX} echo "Installing DeePMD-kit to ${INSTALL_PREFIX}" NPROC=$(nproc --all) #------------------ BUILD_TMP_DIR=${SCRIPT_PATH}/../build mkdir -p ${BUILD_TMP_DIR} cd ${BUILD_TMP_DIR} -cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DDEEPMD_C_ROOT=${DEEPMD_C_ROOT} -DLAMMPS_VERSION=stable_29Aug2024_update1 .. +cmake -DCMAKE_INSTALL_PREFIX=${INSTALL_PREFIX} -DDEEPMD_C_ROOT=${DEEPMD_C_ROOT} -DLAMMPS_VERSION=${LAMMPS_VERSION} .. cmake --build . -j${NPROC} cmake --install . cmake --build . --target=lammpsThis change would make it easier to update the LAMMPS version in future PRs.
📜 Review details
Configuration used: CodeRabbit UI
Review profile: CHILL
📒 Files selected for processing (7)
- doc/install/install-lammps.md (4 hunks)
- pyproject.toml (3 hunks)
- source/install/build_cc.sh (1 hunks)
- source/install/build_from_c.sh (1 hunks)
- source/install/build_lammps.sh (1 hunks)
- source/install/test_cc.sh (1 hunks)
- source/install/test_cc_local.sh (1 hunks)
✅ Files skipped from review due to trivial changes (3)
- doc/install/install-lammps.md
- source/install/build_cc.sh
- source/install/test_cc_local.sh
🔇 Additional comments (6)
source/install/test_cc.sh (1)
20-20: LGTM. Verify build success with the new LAMMPS version.The update of LAMMPS version from
stable_29Aug2024tostable_29Aug2024_update1is consistent with the PR objective. This minor version update likely includes bug fixes or small improvements.To ensure compatibility and successful builds with the new LAMMPS version, please run the following verification script:
source/install/build_lammps.sh (1)
17-17: LGTM. Version update looks good, but let's verify a few things.The LAMMPS version has been updated from 'stable_29Aug2024' to 'stable_29Aug2024_update1'. This change looks straightforward and correct.
To ensure everything works as expected with this new version, please consider the following verification steps:
Confirm that the new version exists and is downloadable:
Check for any breaking changes or important updates in the release notes for this version:
Ensure that the build process completes successfully with the new version in your CI/CD pipeline.
If possible, run your test suite to confirm that the new LAMMPS version doesn't introduce any regressions in your specific use case.
pyproject.toml (4)
107-107: Summary: LAMMPS version update across configurationsThe changes in this PR are focused on updating the LAMMPS version from 2024.8.29.0.0 to 2024.8.29.1.0 and reflecting this update in the build configurations for both macOS and Linux. These changes are consistent and aligned with the PR objective.
Key points:
- LAMMPS dependency version updated to 2024.8.29.1.0
- DP_LAMMPS_VERSION updated to "stable_29Aug2024_update1" for both macOS and Linux
The impact of these changes should be minimal, primarily affecting the LAMMPS integration. However, it's crucial to ensure that the new LAMMPS version is compatible with the existing codebase and that the build processes for both macOS and Linux continue to function correctly.
To ensure overall compatibility and correct functioning, please run the full test suite and verify that all LAMMPS-related functionality works as expected across different operating systems.
Also applies to: 228-228, 264-264
228-228: LGTM: DP_LAMMPS_VERSION update for macOSThe DP_LAMMPS_VERSION has been updated to "stable_29Aug2024_update1", which is consistent with the LAMMPS version change and the PR objective.
To ensure this change doesn't break the macOS build process, please verify with the following command:
#!/bin/bash # Description: Verify macOS build environment # Test: Check if DP_LAMMPS_VERSION is set correctly echo $DP_LAMMPS_VERSION
264-264: LGTM: DP_LAMMPS_VERSION update for LinuxThe DP_LAMMPS_VERSION has been updated to "stable_29Aug2024_update1" for Linux as well, maintaining consistency with the macOS configuration and aligning with the PR objective.
To ensure this change doesn't affect the Linux build process, please verify with the following command:
#!/bin/bash # Description: Verify Linux build environment # Test: Check if DP_LAMMPS_VERSION is set correctly and LAMMPS can be imported echo $DP_LAMMPS_VERSION python -c "import lammps; print(lammps.__version__)"
107-107: LGTM: LAMMPS version updateThe LAMMPS version has been updated from 2024.8.29.0.0 to 2024.8.29.1.0, which aligns with the PR objective. This minor version update should introduce improvements or bug fixes.
To ensure compatibility, please verify that this version works correctly with the current codebase. Consider running the following command to check for any potential issues:
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #4179 +/- ##
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Coverage 83.46% 83.46%
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Files 537 537
Lines 52168 52168
Branches 3046 3046
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Hits 43543 43543
Misses 7678 7678
Partials 947 947 ☔ View full report in Codecov by Sentry. |
Summary by CodeRabbit
Release Notes
Documentation
stable_29Aug2024_update1.New Features
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