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[pre-commit.ci] pre-commit autoupdate (#4948)
<!--pre-commit.ci start--> updates: - [github.com/astral-sh/ruff-pre-commit: v0.12.10 → v0.12.11](astral-sh/ruff-pre-commit@v0.12.10...v0.12.11) - [github.com/pre-commit/mirrors-clang-format: v20.1.8 → v21.1.0](pre-commit/mirrors-clang-format@v20.1.8...v21.1.0) <!--pre-commit.ci end--> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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‎.pre-commit-config.yaml‎

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Original file line numberDiff line numberDiff line change
@@ -29,7 +29,7 @@ repos:
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exclude: ^source/3rdparty
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- repo: https://github.com/astral-sh/ruff-pre-commit
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# Ruff version.
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rev: v0.12.10
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rev: v0.12.11
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hooks:
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- id: ruff
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args: ["--fix"]
@@ -60,7 +60,7 @@ repos:
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- id: blacken-docs
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# C++
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- repo: https://github.com/pre-commit/mirrors-clang-format
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rev: v20.1.8
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rev: v21.1.0
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hooks:
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- id: clang-format
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exclude: ^(source/3rdparty|source/lib/src/gpu/cudart/.+\.inc|.+\.ipynb$|.+\.json$)

‎source/api_c/include/deepmd.hpp‎

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‎source/api_c/tests/test_deepmd_exception.cc‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -16,7 +16,7 @@ TEST(TestDeepmdException, deepmdexception) {
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std::string expected_error_message = "DeePMD-kit C API Error: unittest";
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try {
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throw deepmd::hpp::deepmd_exception("unittest");
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} catch (deepmd::hpp::deepmd_exception &ex) {
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} catch (deepmd::hpp::deepmd_exception& ex) {
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EXPECT_STREQ(expected_error_message.c_str(), ex.what());
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}
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}

‎source/api_c/tests/test_utils.h‎

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Original file line numberDiff line numberDiff line change
@@ -14,7 +14,7 @@ typedef testing::Types<double, float> ValueTypes;
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template <typename VALUETYPE>
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inline void _fold_back(typename std::vector<VALUETYPE>::iterator out,
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const typename std::vector<VALUETYPE>::const_iterator in,
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const std::vector<int> &mapping,
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const std::vector<int>& mapping,
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const int nloc,
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const int nall,
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const int ndim,
@@ -35,9 +35,9 @@ inline void _fold_back(typename std::vector<VALUETYPE>::iterator out,
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}
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template <typename VALUETYPE>
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inline void _fold_back(std::vector<VALUETYPE> &out,
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const std::vector<VALUETYPE> &in,
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const std::vector<int> &mapping,
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inline void _fold_back(std::vector<VALUETYPE>& out,
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const std::vector<VALUETYPE>& in,
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const std::vector<int>& mapping,
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const int nloc,
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const int nall,
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const int ndim,
@@ -48,14 +48,14 @@ inline void _fold_back(std::vector<VALUETYPE> &out,
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}
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template <typename VALUETYPE>
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inline void _build_nlist(std::vector<std::vector<int>> &nlist_data,
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std::vector<VALUETYPE> &coord_cpy,
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std::vector<int> &atype_cpy,
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std::vector<int> &mapping,
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const std::vector<VALUETYPE> &coord,
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const std::vector<int> &atype,
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const std::vector<VALUETYPE> &box,
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const float &rc) {
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inline void _build_nlist(std::vector<std::vector<int>>& nlist_data,
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std::vector<VALUETYPE>& coord_cpy,
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std::vector<int>& atype_cpy,
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std::vector<int>& mapping,
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const std::vector<VALUETYPE>& coord,
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const std::vector<int>& atype,
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const std::vector<VALUETYPE>& box,
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const float& rc) {
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// convert VALUETYPE to double, it looks like copy_coord only accepts double
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std::vector<double> coord_cpy_;
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std::vector<double> coord_(coord.begin(), coord.end());
@@ -90,13 +90,13 @@ class EnergyModelTest {
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double level =
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std::is_same<VALUETYPE, double>::value ? 1e-6 : 1e-2; // expected?
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public:
93-
virtual void compute(double &ener,
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std::vector<VALUETYPE> &force,
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std::vector<VALUETYPE> &virial,
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const std::vector<VALUETYPE> &coord,
97-
const std::vector<VALUETYPE> &box) = 0;
98-
void test_f(const std::vector<VALUETYPE> &coord,
99-
const std::vector<VALUETYPE> &box) {
93+
virtual void compute(double& ener,
94+
std::vector<VALUETYPE>& force,
95+
std::vector<VALUETYPE>& virial,
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const std::vector<VALUETYPE>& coord,
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const std::vector<VALUETYPE>& box) = 0;
98+
void test_f(const std::vector<VALUETYPE>& coord,
99+
const std::vector<VALUETYPE>& box) {
100100
int ndof = coord.size();
101101
double ener;
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std::vector<VALUETYPE> force, virial;
@@ -114,8 +114,8 @@ class EnergyModelTest {
114114
EXPECT_LT(fabs(num - ana), level);
115115
}
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}
117-
void test_v(const std::vector<VALUETYPE> &coord,
118-
const std::vector<VALUETYPE> &box) {
117+
void test_v(const std::vector<VALUETYPE>& coord,
118+
const std::vector<VALUETYPE>& box) {
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std::vector<VALUETYPE> num_diff(9);
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double ener;
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std::vector<VALUETYPE> force, virial;

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