build Docker images for each push #2324
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
wanghan-iapcm
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Feb 17, 2023
dingye18
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Feb 17, 2023
* print MAE for `dp test` (deepmodeling#2310) Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * Fix bug deepmodeling#2311 when using FP32 in se_atten (deepmodeling#2312) Fix bug deepmodeling#2311 when using FP32 in se_atten * support multiple frames DeepPot in C/hpp API (deepmodeling#2309) * Add DeepPot C API v2 to support multiple frames. Also, preserve the arguments for fparam and aparam for future use (planned in deepmodeling#2236). V1 is kept for API and ABI compatibility. * Support multiple frames for DeepPot hpp API. The API compatibility is kept. Add tests for new situation. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * Implementation of se_a_mask op (deepmodeling#2313) * Implement se_a_mask op. Training and inference (c++ interface) are tested. Unit test files are required. * Fix bug in atom pref setting for forces. * Add the unit test for descrpt se_a_mask * Remove the unit test for dp mask model * Update dp mask system path for unit test --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * support exclude_types for se_atten (deepmodeling#2315) Fix deepmodeling#2232. Also, clean old useless codes for `exclude_types`. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * fix restarting from the original model (deepmodeling#2317) deepmodeling#2253 supports restarting from the compressed model but breaks the original model. This PR fixes the error by detecting the model type first. ``` FAILED_PRECONDITION: Attempting to use uninitialized value ``` --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * package dp_ipi in the PyPI wheels (deepmodeling#2320) Fix deepmodeling#2282. In addition, change the return code of `dp_ipi` (without any arguments) from 1 to 0. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> * build Docker images for each push (deepmodeling#2324) and push the image to the GitHub container. Also, provide the pypi CUDA support for pypi LAMMPS. --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> * Fix typo in install docs (deepmodeling#2325) Signed-off-by: Chun Cai <amoycaic@gmail.com> * Add a script to detect model version (deepmodeling#2318) This PR adds a script in deepmd/utils to detect the version of a Deep Potential model. --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Signed-off-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Duo <50307526+iProzd@users.noreply.github.com> Co-authored-by: Chun Cai <amoycaic@gmail.com> Co-authored-by: Yifan Li李一帆 <yifanl0716@gmail.com>
njzjz
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Sep 30, 2023
deepmodeling#2324 sets `fetch-depth: 0` for wheels but not source distribution, so that the wheel versions are correct, but the source distribution version is wrong. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
wanghan-iapcm
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Oct 3, 2023
#2324 sets `fetch-depth: 0` for wheels but not source distribution so that the wheel versions are correct, but the source distribution version is wrong.  Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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and push the image to the GitHub container.
Also, provide the pypi CUDA support for pypi LAMMPS.