apply deepmodeling/deepmd-kit#3025 to fix plugin loading issues

njzjz · Dec 2, 2023 · 1e4a2b2 · 1e4a2b2
1 parent 4f62717
commit 1e4a2b2
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Showing 3 changed files with 76 additions and 33 deletions.
diff --git a/recipe/3025.patch b/recipe/3025.patch
@@ -0,0 +1,70 @@
+From 8ccec49ac29b484ea25ab7159baed7d9a3d9dfdb Mon Sep 17 00:00:00 2001
+From: Jinzhe Zeng <[email protected]>
+Date: Sat, 2 Dec 2023 18:20:53 -0500
+Subject: [PATCH 1/2] set rpath for symlink and macos
+
+Signed-off-by: Jinzhe Zeng <[email protected]>
+---
+ source/lmp/plugin/CMakeLists.txt | 7 +++++--
+ 1 file changed, 5 insertions(+), 2 deletions(-)
+
+diff --git a/source/lmp/plugin/CMakeLists.txt b/source/lmp/plugin/CMakeLists.txt
+index bfc225341..e6dc0fc99 100644
+--- a/source/lmp/plugin/CMakeLists.txt
++++ b/source/lmp/plugin/CMakeLists.txt
+@@ -96,10 +96,13 @@ if(DEFINED LAMMPS_SOURCE_ROOT OR DEFINED LAMMPS_VERSION)
+   endif()
+   if(CMAKE_SYSTEM_NAME STREQUAL Darwin)
+     set_target_properties(${libname} PROPERTIES LINK_FLAGS
+-                                                "-Wl,-undefined,dynamic_lookup")
++                                                "-Wl,-undefined,dynamic_lookup"
++						INSTALL_RPATH
++      						"@loader_path:${TensorFlow_LIBRARY_PATH}:@loader_path/.."
++      )
+   else()
+     set_target_properties(
+-      ${libname} PROPERTIES INSTALL_RPATH "$ORIGIN;${TensorFlow_LIBRARY_PATH}"
++      ${libname} PROPERTIES INSTALL_RPATH "$ORIGIN;${TensorFlow_LIBRARY_PATH};$ORIGIN/.."
+                             LINK_FLAGS "-rdynamic")
+   endif()
+   target_compile_definitions(
+
+From d0281e58a11eae6d55f5024ddfe4acd2083fff55 Mon Sep 17 00:00:00 2001
+From: "pre-commit-ci[bot]"
+ <66853113+pre-commit-ci[bot]@users.noreply.github.com>
+Date: Sat, 2 Dec 2023 23:23:44 +0000
+Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks
+
+for more information, see https://pre-commit.ci
+---
+ source/lmp/plugin/CMakeLists.txt | 15 ++++++++-------
+ 1 file changed, 8 insertions(+), 7 deletions(-)
+
+diff --git a/source/lmp/plugin/CMakeLists.txt b/source/lmp/plugin/CMakeLists.txt
+index e6dc0fc99..41aa41f7f 100644
+--- a/source/lmp/plugin/CMakeLists.txt
++++ b/source/lmp/plugin/CMakeLists.txt
+@@ -95,15 +95,16 @@ if(DEFINED LAMMPS_SOURCE_ROOT OR DEFINED LAMMPS_VERSION)
+       ${libname} PRIVATE ${LAMMPS_SOURCE_ROOT}/src/EXTRA-FIX) # for ttm
+   endif()
+   if(CMAKE_SYSTEM_NAME STREQUAL Darwin)
+-    set_target_properties(${libname} PROPERTIES LINK_FLAGS
+-                                                "-Wl,-undefined,dynamic_lookup"
+-						INSTALL_RPATH
+-      						"@loader_path:${TensorFlow_LIBRARY_PATH}:@loader_path/.."
+-      )
++    set_target_properties(
++      ${libname}
++      PROPERTIES LINK_FLAGS "-Wl,-undefined,dynamic_lookup"
++                 INSTALL_RPATH
++                 "@loader_path:${TensorFlow_LIBRARY_PATH}:@loader_path/..")
+   else()
+     set_target_properties(
+-      ${libname} PROPERTIES INSTALL_RPATH "$ORIGIN;${TensorFlow_LIBRARY_PATH};$ORIGIN/.."
+-                            LINK_FLAGS "-rdynamic")
++      ${libname}
++      PROPERTIES INSTALL_RPATH "$ORIGIN;${TensorFlow_LIBRARY_PATH};$ORIGIN/.."
++                 LINK_FLAGS "-rdynamic")
+   endif()
+   target_compile_definitions(
+     ${libname}
diff --git a/recipe/in_plugin.lammps b/recipe/in_plugin.lammps
diff --git a/recipe/meta.yaml b/recipe/meta.yaml
@@ -11,12 +11,14 @@ package:
 source:
   - url: https://github.com/deepmodeling/{{ name }}/archive/v{{ version }}.tar.gz
     sha256: 25be126de336630493732b09d3b779b89cc916345b22dfb869cc4f3a3ba6dcde
+    patches:
+      - 3025.patch
   - url: https://github.com/lammps/lammps/archive/{{ lammps_version }}.tar.gz
     sha256: 48dc8b0b0583689e80ea2052275acbc3e3fce89707ac557e120db5564257f7df
     folder: lammps
 
 build:
-  number: 3
+  number: 4
   string: cuda{{ cuda_compiler_version | replace('.', '') }}py{{ CONDA_PY }}h{{ PKG_HASH }}_{{ PKG_BUILDNUM }}  # [cuda_compiler_version != "None"]
   string: cpu_py{{ CONDA_PY }}h{{ PKG_HASH }}_{{ PKG_BUILDNUM }}  # [cuda_compiler_version == "None"]
   skip: true  # [win]
@@ -50,7 +52,7 @@ requirements:
     - tensorflow
     - numpy
     - scipy
-    - dargs >=0.3.5
+    - dargs >=0.4.1
     - pyyaml
     - {{ mpi }}
     - python-hostlist >=1.21
@@ -65,8 +67,7 @@ test:
   files:
     - water_se_a.json
     - water.lmp
-    - in.lammps  # [linux and mpi == 'mpich']
-    - in_plugin.lammps  # [osx and mpi == 'mpich']
+    - in.lammps  # [mpi == 'mpich']
   source_files:
     - examples/water/data
   imports:
@@ -83,8 +84,7 @@ test:
     - mv examples/water/data/data_0 ./data
     - dp train water_se_a.json
     - dp freeze -o frozen_model.pb
-    - mpiexec -n 1 lmp_mpi -in in.lammps  # [linux and mpi == 'mpich']
-    - mpiexec -n 1 lmp_mpi -in in_plugin.lammps  # [osx and mpi == 'mpich']
+    - mpiexec -n 1 lmp_mpi -in in.lammps  # [mpi == 'mpich']
 
 about:
   home: https://github.com/deepmodeling/deepmd-kit