fix compile gromacs with precompiled C library #3217
Merged
Conversation
This file contains 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
Fix deepmodeling#3214. In the gmx patch file, `${TENSORFLOW_ROOT}` is used other than `${TensorFlow_LIBRARY_PATH}$` or `${TENSORFLOW_INCLUDE_DIRS}`, so the fastest workaround is to set `${TENSORFLOW_ROOT}`. https://github.com/deepmodeling/deepmd-kit/blob/eb9b2efedf4efc946894800a0d7abf5056f4bb7a/source/gmx/patches/2020.2/CMakeLists.txt.patch.in#L14-L18 Signed-off-by: Jinzhe Zeng <[email protected]>
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## devel #3217 +/- ##
=======================================
Coverage 74.78% 74.78%
=======================================
Files 362 362
Lines 32391 32391
Branches 1594 1594
=======================================
Hits 24222 24222
Misses 7244 7244
Partials 925 925 ☔ View full report in Codecov by Sentry. |
wanghan-iapcm
approved these changes
Feb 2, 2024
njzjz
added a commit
to njzjz/deepmd-kit
that referenced
this pull request
Feb 4, 2024
Fix deepmodeling#3214. In the gmx patch file, `${TENSORFLOW_ROOT}` is used other than `${TensorFlow_LIBRARY_PATH}$` or `${TENSORFLOW_INCLUDE_DIRS}`, so the fastest workaround is to set `${TENSORFLOW_ROOT}`. https://github.com/deepmodeling/deepmd-kit/blob/eb9b2efedf4efc946894800a0d7abf5056f4bb7a/source/gmx/patches/2020.2/CMakeLists.txt.patch.in#L14-L18 Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 701b913)
wanghan-iapcm
pushed a commit
that referenced
this pull request
Feb 4, 2024
Fix #3214. In the gmx patch file, `${TENSORFLOW_ROOT}` is used other than `${TensorFlow_LIBRARY_PATH}$` or `${TENSORFLOW_INCLUDE_DIRS}`, so the fastest workaround is to set `${TENSORFLOW_ROOT}`. https://github.com/deepmodeling/deepmd-kit/blob/eb9b2efedf4efc946894800a0d7abf5056f4bb7a/source/gmx/patches/2020.2/CMakeLists.txt.patch.in#L14-L18 Signed-off-by: Jinzhe Zeng <[email protected]> (cherry picked from commit 701b913)
Closed
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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.
Fix #3214.
In the gmx patch file,
${TENSORFLOW_ROOT}is used other than${TensorFlow_LIBRARY_PATH}$or${TENSORFLOW_INCLUDE_DIRS}, so the fastest workaround is to set${TENSORFLOW_ROOT}.deepmd-kit/source/gmx/patches/2020.2/CMakeLists.txt.patch.in
Lines 14 to 18 in eb9b2ef