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fix ase tarball url and testing C library #2950

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merged 5 commits into from
Oct 27, 2023
Merged

fix ase tarball url and testing C library #2950

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6accd87
fix ase tarball url
njzjz Oct 25, 2023
8f0d96c
fix url in test_cuda
njzjz Oct 26, 2023
5a9fe30
convert from an existing model
njzjz Oct 26, 2023
a1eaa54
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Oct 26, 2023
bee9983
fix model path
njzjz Oct 26, 2023
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2 changes: 1 addition & 1 deletion .github/workflows/test_cc.yml
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Expand Up @@ -30,7 +30,7 @@ jobs:
# TODO: remove ase version when ase has new release
- run: |
python -m pip install -U pip
python -m pip install -e .[cpu,test,lmp] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
python -m pip install -e .[cpu,test,lmp] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
env:
DP_BUILD_TESTING: 1
- run: pytest --cov=deepmd source/lmp/tests
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2 changes: 1 addition & 1 deletion .github/workflows/test_cuda.yml
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Expand Up @@ -36,7 +36,7 @@ jobs:
- name: Set PyPI mirror for Aliyun cloud machine
run: python -m pip config --user set global.index-url https://mirrors.aliyun.com/pypi/simple/
- run: python -m pip install -U "pip>=21.3.1,!=23.0.0"
- run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://github.com/rosswhitfield/ase/archive/edd03571aff6944b77b4a4b055239f3c3e4eeb66.zip"
- run: python -m pip install -v -e .[gpu,test,lmp,cu11] "ase @ https://gitlab.com/ase/ase/-/archive/8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f/ase-8c5aa5fd6448c5cfb517a014dccf2b214a9dfa8f.tar.gz"
env:
DP_BUILD_TESTING: 1
DP_VARIANT: cuda
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7 changes: 7 additions & 0 deletions examples/infer_water/convert_model.c
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@@ -0,0 +1,7 @@
// SPDX-License-Identifier: LGPL-3.0-or-later
#include "deepmd/c_api.h"

int main() {
DP_ConvertPbtxtToPb("../../source/tests/infer/deeppot.pbtxt", "graph.pb");
return 0;
}
4 changes: 2 additions & 2 deletions source/install/docker_test_package_c.sh
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Expand Up @@ -5,11 +5,11 @@ SCRIPT_PATH=$(dirname $(realpath -s $0))

# assume libdeepmd_c.tar.gz has been created

wget "https://drive.google.com/uc?export=download&id=1xldLhzm4uSkq6iPohSycNWAsWqKAenKX" -O ${SCRIPT_PATH}/../../examples/infer_water/"graph.pb"

docker run --rm -v ${SCRIPT_PATH}/../..:/root/deepmd-kit -w /root/deepmd-kit \
gcc:4.9 \
/bin/sh -c "tar vxzf libdeepmd_c.tar.gz \
&& cd examples/infer_water \
&& gcc convert_model.c -std=c99 -L ../../libdeepmd_c/lib -I ../../libdeepmd_c/include -Wl,--no-as-needed -ldeepmd_c -Wl,-rpath=../../libdeepmd_c/lib -o convert_model \
&& gcc infer_water.c -std=c99 -L ../../libdeepmd_c/lib -I ../../libdeepmd_c/include -Wl,--no-as-needed -ldeepmd_c -Wl,-rpath=../../libdeepmd_c/lib -o infer_water \
&& ./convert_model \
&& ./infer_water"