From 6accd8791818ad8fbf3e58f3bad13760e99d4d4e Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 25 Oct 2023 14:17:44 -0400 Subject: [PATCH 1/5] fix ase tarball url Signed-off-by: Jinzhe Zeng --- .github/workflows/test_cc.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test_cc.yml b/.github/workflows/test_cc.yml index fa37009730..a98afa7a94 100644 --- a/.github/workflows/test_cc.yml +++ b/.github/workflows/test_cc.yml @@ -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 From 8f0d96c39e78eaf41cb118f01fa3007040a2fc56 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 25 Oct 2023 20:07:09 -0400 Subject: [PATCH 2/5] fix url in test_cuda Signed-off-by: Jinzhe Zeng --- .github/workflows/test_cuda.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test_cuda.yml b/.github/workflows/test_cuda.yml index 7b95e6d37b..ca72a32277 100644 --- a/.github/workflows/test_cuda.yml +++ b/.github/workflows/test_cuda.yml @@ -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 From 5a9fe307c577c115f72cb99d1bd57ae1248f0ebc Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 25 Oct 2023 23:22:58 -0400 Subject: [PATCH 3/5] convert from an existing model --- examples/infer_water/convert_model.c | 11 +++++++++++ source/install/docker_test_package_c.sh | 4 ++-- 2 files changed, 13 insertions(+), 2 deletions(-) create mode 100644 examples/infer_water/convert_model.c diff --git a/examples/infer_water/convert_model.c b/examples/infer_water/convert_model.c new file mode 100644 index 0000000000..b1517f71d0 --- /dev/null +++ b/examples/infer_water/convert_model.c @@ -0,0 +1,11 @@ +// SPDX-License-Identifier: LGPL-3.0-or-later +#include +#include + +#include "deepmd/c_api.h" + +int main() { + DP_ConvertPbtxtToPb("../../../source/tests/infer/deeppot.pbtxt", + "graph.pb"); + return 0; +} diff --git a/source/install/docker_test_package_c.sh b/source/install/docker_test_package_c.sh index ada1799953..ed3b265821 100755 --- a/source/install/docker_test_package_c.sh +++ b/source/install/docker_test_package_c.sh @@ -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" From a1eaa54c0ba82122bc21455a49a222412f0d9d68 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Thu, 26 Oct 2023 03:23:25 +0000 Subject: [PATCH 4/5] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- examples/infer_water/convert_model.c | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/examples/infer_water/convert_model.c b/examples/infer_water/convert_model.c index b1517f71d0..268d9c1aea 100644 --- a/examples/infer_water/convert_model.c +++ b/examples/infer_water/convert_model.c @@ -5,7 +5,6 @@ #include "deepmd/c_api.h" int main() { - DP_ConvertPbtxtToPb("../../../source/tests/infer/deeppot.pbtxt", - "graph.pb"); - return 0; + DP_ConvertPbtxtToPb("../../../source/tests/infer/deeppot.pbtxt", "graph.pb"); + return 0; } From bee9983637a0a90b717f4f5e7dc215bd64a3b46e Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 25 Oct 2023 23:44:25 -0400 Subject: [PATCH 5/5] fix model path --- examples/infer_water/convert_model.c | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/examples/infer_water/convert_model.c b/examples/infer_water/convert_model.c index 268d9c1aea..3fc2d74b65 100644 --- a/examples/infer_water/convert_model.c +++ b/examples/infer_water/convert_model.c @@ -1,10 +1,7 @@ // SPDX-License-Identifier: LGPL-3.0-or-later -#include -#include - #include "deepmd/c_api.h" int main() { - DP_ConvertPbtxtToPb("../../../source/tests/infer/deeppot.pbtxt", "graph.pb"); + DP_ConvertPbtxtToPb("../../source/tests/infer/deeppot.pbtxt", "graph.pb"); return 0; }