chore: bump LAMMPS to stable_29Aug2024_update2#4815
chore: bump LAMMPS to stable_29Aug2024_update2#4815njzjz wants to merge 1 commit intodeepmodeling:develfrom
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>
📝 WalkthroughWalkthroughThe changes update all references to the LAMMPS version from Changes
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Actionable comments posted: 0
🧹 Nitpick comments (1)
source/install/build_from_c.sh (1)
1-23: Consider centralizing the LAMMPS version string
Having to update the version literal across multiple scripts increases the risk of drift. You could defineLAMMPS_VERSIONonce (e.g., in an env file or top-level config) and source it in each build/test script.
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📒 Files selected for processing (8)
.devcontainer/build_cxx.sh(1 hunks)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)
⏰ Context from checks skipped due to timeout of 90000ms (30)
- GitHub Check: Test C++ (true)
- GitHub Check: Test C++ (false)
- GitHub Check: Build C++ (cuda120, cuda)
- GitHub Check: Build C++ (cuda, cuda)
- GitHub Check: Build C++ (rocm, rocm)
- GitHub Check: Build C++ (clang, clang)
- GitHub Check: Build C++ (cpu, cpu)
- GitHub Check: Build wheels for cp311-win_amd64
- GitHub Check: Build wheels for cp310-manylinux_aarch64
- GitHub Check: Build wheels for cp311-macosx_arm64
- GitHub Check: Build wheels for cp311-manylinux_x86_64
- GitHub Check: Analyze (python)
- GitHub Check: Build wheels for cp311-macosx_x86_64
- GitHub Check: Build wheels for cp311-manylinux_x86_64
- GitHub Check: Analyze (c-cpp)
- GitHub Check: Analyze (javascript-typescript)
- GitHub Check: Build C library (2.18, libdeepmd_c.tar.gz)
- GitHub Check: Build C library (2.14, >=2.5.0rc0,<2.15, libdeepmd_c_cu11.tar.gz)
- GitHub Check: Test Python (4, 3.9)
- GitHub Check: Test Python (6, 3.12)
- GitHub Check: Test Python (6, 3.9)
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- GitHub Check: Test Python (5, 3.12)
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- GitHub Check: Test Python (3, 3.9)
- GitHub Check: Test Python (2, 3.12)
- GitHub Check: Test Python (1, 3.12)
- GitHub Check: Test Python (3, 3.12)
- GitHub Check: Test Python (2, 3.9)
- GitHub Check: Test Python (1, 3.9)
🔇 Additional comments (16)
source/install/build_from_c.sh (1)
16-16: Approve version bump in build_from_c.sh
The-DLAMMPS_VERSIONflag is correctly updated tostable_29Aug2024_update2..devcontainer/build_cxx.sh (1)
16-16: Approve version bump in build_cxx.sh
The CMake-D LAMMPS_VERSIONargument has been updated tostable_29Aug2024_update2as expected.source/install/build_cc.sh (1)
29-29: Approve version bump in build_cc.sh
Updated-D LAMMPS_VERSIONtostable_29Aug2024_update2to stay consistent with other build scripts.source/install/test_cc_local.sh (1)
31-31: Approve version bump in test_cc_local.sh
The local C++ test script now referencesstable_29Aug2024_update2correctly.source/install/test_cc.sh (1)
20-20: Approve version bump in test_cc.sh
The-DLAMMPS_VERSIONflag is updated tostable_29Aug2024_update2, aligning with other test scripts.source/install/build_lammps.sh (1)
17-17: Verify new LAMMPS version tag exists on GitHub.The version was bumped to
stable_29Aug2024_update2. Please confirm that the corresponding Git tag and tarball URL are available before merging:#!/usr/bin/env bash curl -I -f https://github.com/lammps/lammps/archive/refs/tags/stable_29Aug2024_update2.tar.gzpyproject.toml (3)
248-248: Sync DP_LAMMPS_VERSION for macOS build.The
DP_LAMMPS_VERSIONenvironment variable for macOS cibuildwheel is updated to"stable_29Aug2024_update2", matching the new release.
285-285: Sync DP_LAMMPS_VERSION for Linux build.The
DP_LAMMPS_VERSIONenvironment variable for Linux cibuildwheel is updated to"stable_29Aug2024_update2", ensuring consistency across platforms.
111-111: Verify PyPI release for LAMMPS2024.8.29.2.0.The optional
lmpextras group now specifies"lammps~=2024.8.29.2.0". Confirm this version is published on PyPI or your chosen index:#!/usr/bin/env bash curl -sf https://pypi.org/pypi/lammps/json | jq -e '.releases["2024.8.29.2.0"]'doc/install/install-lammps.md (7)
20-21: Update built-in mode download commands.The
wgetURL andtar xfcommand now fetchstable_29Aug2024_update2, aligning docs with build scripts.
24-24: Update directory name reference for built-in mode.The directory name is updated to
lammps-stable_29Aug2024_update2, consistent with the downloaded tarball.
33-33: Update source directory navigation.The
cdcommand now targetslammps-stable_29Aug2024_update2/src/, reflecting the new version.
63-64: Update build directory creation for built-in mode.The
mkdirandcdcommands referencelammps-stable_29Aug2024_update2/build/, matching the version bump.
97-98: Update plugin mode download commands.Plugin mode’s
wgetandtar xfnow usestable_29Aug2024_update2.
101-101: Update plugin mode directory reference.The plugin mode directory name is updated to
lammps-stable_29Aug2024_update2.
104-105: Update plugin mode build directory creation.The commands to create and enter the build directory now point to
lammps-stable_29Aug2024_update2/build/.
Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## devel #4815 +/- ##
==========================================
- Coverage 84.57% 84.57% -0.01%
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Files 699 699
Lines 68034 68033 -1
Branches 3541 3540 -1
==========================================
- Hits 57540 57539 -1
+ Misses 9360 9359 -1
- Partials 1134 1135 +1 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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