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Fix macOS LAMMPS plugin loading issue #72

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merged 7 commits into from
Mar 22, 2024
Merged

Fix macOS LAMMPS plugin loading issue #72

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6c4ae8a
Fix macOS LAMMPS plugin loading issue
njzjz Mar 17, 2024
4bb54d5
MNT: Re-rendered with conda-build 24.1.2, conda-smithy 3.32.0, and co…
Mar 17, 2024
41c70a1
update cuda120 migration
njzjz Mar 17, 2024
7872666
Add stdlib to build
njzjz Mar 19, 2024
33ead62
add sysroot and pin it to 2.17
njzjz Mar 22, 2024
a65998f
set os_version
njzjz Mar 22, 2024
cb21a78
MNT: Re-rendered with conda-build 24.1.2, conda-smithy 3.33.0, and co…
Mar 22, 2024
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1 change: 1 addition & 0 deletions .azure-pipelines/azure-pipelines-linux.yml
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1 change: 1 addition & 0 deletions .azure-pipelines/azure-pipelines-osx.yml
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2 changes: 1 addition & 1 deletion ...lernvcccuda_compiler_version11.2cxx_compiler_version10mpimpichpython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...lernvcccuda_compiler_version11.2cxx_compiler_version10mpimpichpython3.11.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...ilernvcccuda_compiler_version11.2cxx_compiler_version10mpimpichpython3.9.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rnvcccuda_compiler_version11.2cxx_compiler_version10mpiopenmpipython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rnvcccuda_compiler_version11.2cxx_compiler_version10mpiopenmpipython3.11.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...ernvcccuda_compiler_version11.2cxx_compiler_version10mpiopenmpipython3.9.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...lernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...lernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.11.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...ilernvcccuda_compiler_version11.8cxx_compiler_version11mpimpichpython3.9.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rnvcccuda_compiler_version11.8cxx_compiler_version11mpiopenmpipython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rnvcccuda_compiler_version11.8cxx_compiler_version11mpiopenmpipython3.11.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...ernvcccuda_compiler_version11.8cxx_compiler_version11mpiopenmpipython3.9.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...lerNonecuda_compiler_versionNonecxx_compiler_version12mpimpichpython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...lerNonecuda_compiler_versionNonecxx_compiler_version12mpimpichpython3.11.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...ilerNonecuda_compiler_versionNonecxx_compiler_version12mpimpichpython3.9.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rNonecuda_compiler_versionNonecxx_compiler_version12mpiopenmpipython3.10.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...rNonecuda_compiler_versionNonecxx_compiler_version12mpiopenmpipython3.11.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...erNonecuda_compiler_versionNonecxx_compiler_version12mpiopenmpipython3.9.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...da-nvcccuda_compiler_version12.0cxx_compiler_version12mpimpichpython3.10.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...da-nvcccuda_compiler_version12.0cxx_compiler_version12mpimpichpython3.11.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...uda-nvcccuda_compiler_version12.0cxx_compiler_version12mpimpichpython3.9.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...-nvcccuda_compiler_version12.0cxx_compiler_version12mpiopenmpipython3.10.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...-nvcccuda_compiler_version12.0cxx_compiler_version12mpiopenmpipython3.11.____cpython.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
2 changes: 1 addition & 1 deletion ...a-nvcccuda_compiler_version12.0cxx_compiler_version12mpiopenmpipython3.9.____cpython.yaml
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Expand Up @@ -40,7 +40,7 @@ tensorflow:
zip_keys:
- - c_compiler_version
- cxx_compiler_version
- cdt_name
- cuda_compiler
- cuda_compiler_version
- cdt_name
- docker_image
5 changes: 4 additions & 1 deletion .ci_support/migrations/cuda120.yaml
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Expand Up @@ -77,6 +77,9 @@ cxx_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "F
fortran_compiler_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]
- 12 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]

c_stdlib_version: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]
- 2.17 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]

cdt_name: # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]
- cos7 # [linux and os.environ.get("CF_CUDA_ENABLED", "False") == "True"]

Expand All @@ -87,4 +90,4 @@ docker_image: # [os.environ.get("BUILD_PLAT
- quay.io/condaforge/linux-anvil-aarch64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-aarch64"]
# case: cross-compilation (build != target)
- quay.io/condaforge/linux-anvil-cos7-x86_64 # [ppc64le and os.environ.get("BUILD_PLATFORM") == "linux-64"]
- quay.io/condaforge/linux-anvil-cos7-x86_64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"]
- quay.io/condaforge/linux-anvil-cos7-x86_64 # [aarch64 and os.environ.get("BUILD_PLATFORM") == "linux-64"]
6 changes: 3 additions & 3 deletions .scripts/build_steps.sh
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6 changes: 3 additions & 3 deletions .scripts/run_osx_build.sh
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5 changes: 3 additions & 2 deletions build-locally.py
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22 changes: 22 additions & 0 deletions recipe/3473.patch
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@@ -0,0 +1,22 @@
From adf640a49cad144d707686e629f24756e28968f6 Mon Sep 17 00:00:00 2001
From: Chenxing Luo <[email protected]>
Date: Sat, 16 Mar 2024 18:53:43 -0400
Subject: [PATCH] Fix LAMMPS plugin symlink path on macOS platform

---
source/lmp/plugin/CMakeLists.txt | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/source/lmp/plugin/CMakeLists.txt b/source/lmp/plugin/CMakeLists.txt
index bfc2253412..4fdae7ac5b 100644
--- a/source/lmp/plugin/CMakeLists.txt
+++ b/source/lmp/plugin/CMakeLists.txt
@@ -126,7 +126,7 @@ if(DEFINED LAMMPS_SOURCE_ROOT OR DEFINED LAMMPS_VERSION)
install(
CODE "execute_process( \
COMMAND ${CMAKE_COMMAND} -E create_symlink \
- ../${CMAKE_SHARED_LIBRARY_PREFIX}${libname}${CMAKE_SHARED_LIBRARY_SUFFIX} \
+ ../${CMAKE_SHARED_MODULE_PREFIX}${libname}${CMAKE_SHARED_MODULE_SUFFIX} \
${CMAKE_INSTALL_PREFIX}/lib/${libname}/${PLUGINNAME} \
)")
endif()
27 changes: 0 additions & 27 deletions recipe/in_plugin.lammps
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This file was deleted.

11 changes: 6 additions & 5 deletions recipe/meta.yaml
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Expand Up @@ -12,12 +12,14 @@ package:
source:
- url: https://github.com/deepmodeling/{{ name }}/archive/v{{ version }}.tar.gz
sha256: b14419367905b6dd938b9c54f91977c59c25da905a34a7b42585af4805fc4077
patches:
- 3473.patch
- url: https://github.com/lammps/lammps/archive/{{ lammps_version }}.tar.gz
sha256: 48dc8b0b0583689e80ea2052275acbc3e3fce89707ac557e120db5564257f7df
folder: lammps

build:
number: 0
number: 1
{% if mpi != 'nompi' %}
{% set mpi_prefix = "mpi_" + mpi %}
{% else %}
Expand All @@ -31,6 +33,7 @@ build:

requirements:
build:
- {{ stdlib("c") }}
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- {{ compiler('c') }}
- {{ compiler('cxx') }}
- {{ compiler('cuda') }} # [cuda_compiler_version != "None"]
Expand Down Expand Up @@ -77,8 +80,7 @@ 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:
Expand All @@ -95,8 +97,7 @@ 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
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