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Commit 02d1c4a0 authored by Thomas Purcell's avatar Thomas Purcell
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test with conda and not cmake

See if that fixes problems with pytest
parent 7386d3fb
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...@@ -10,9 +10,9 @@ build-intel: ...@@ -10,9 +10,9 @@ build-intel:
- module load intel impi cmake anaconda/3/2019.03 mpi4py - module load intel impi cmake anaconda/3/2019.03 mpi4py
- mkdir build_intel/ - mkdir build_intel/
- cd build_intel/ - cd build_intel/
- python -m venv sisso - conda create -p sisso/ python=3.7 mkl numpy scipy pandas pytest
- source sisso/bin/activate - export PATH=`pwd`/sisso/bin/:$PATH
- pip install numpy scipy pandas pytest - export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$MKLROOT/lib/intel64/
- cmake -C ../cmake/toolchains/intel_py.cmake ../ - cmake -C ../cmake/toolchains/intel_py.cmake ../
- make - make
- make install - make install
...@@ -24,12 +24,12 @@ build-intel: ...@@ -24,12 +24,12 @@ build-intel:
build-gnu: build-gnu:
stage: build stage: build
script: script:
- module load gcc impi cmake anaconda/3/2019.03 mpi4py - module load gcc impi mkl cmake anaconda/3/2019.03 mpi4py
- mkdir build_gcc/ - mkdir build_gcc/
- cd build_gcc/ - cd build_gcc/
- python -m venv sisso - conda create -p sisso/ python=3.7 mkl numpy scipy pandas pytest
- source sisso/bin/activate - export PATH=`pwd`/sisso/bin/:$PATH
- pip install numpy scipy pandas pytest - export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$MKLROOT/lib/intel64/
- cmake -C ../cmake/toolchains/gnu_py.cmake ../ - cmake -C ../cmake/toolchains/gnu_py.cmake ../
- make - make
- make install - make install
......
...@@ -35,7 +35,7 @@ install(TARGETS sisso++ DESTINATION ${CMAKE_CURRENT_LIST_DIR}/../bin/) ...@@ -35,7 +35,7 @@ install(TARGETS sisso++ DESTINATION ${CMAKE_CURRENT_LIST_DIR}/../bin/)
if(USE_PYTHON) if(USE_PYTHON)
include(${CMAKE_CURRENT_LIST_DIR}/../cmake/TransferDocStrings.cmake) include(${CMAKE_CURRENT_LIST_DIR}/../cmake/TransferDocStrings.cmake)
set(CMAKE_INSTALL_RPATH "${Boost_LIBRARY_DIRS};${PYTHON_PREFIX}/lib64/;${MPI_DIR}") set(CMAKE_INSTALL_RPATH "${Boost_LIBRARY_DIRS};${PYTHON_PREFIX}/lib/;${MPI_DIR}")
message(STATUS "CMAKE_INSTALL_RPATH = ${CMAKE_INSTALL_RPATH}") message(STATUS "CMAKE_INSTALL_RPATH = ${CMAKE_INSTALL_RPATH}")
file(GLOB_RECURSE SISSOLIB_SOURCES *.cpp) file(GLOB_RECURSE SISSOLIB_SOURCES *.cpp)
list(REMOVE_ITEM SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/main.cpp) list(REMOVE_ITEM SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/main.cpp)
......
...@@ -24,8 +24,8 @@ def test_sisso(): ...@@ -24,8 +24,8 @@ def test_sisso():
shutil.rmtree("models/") shutil.rmtree("models/")
shutil.rmtree("feature_space/") shutil.rmtree("feature_space/")
assert sisso.models[1][0].rmse < 1e-8 assert sisso.models[1][0].rmse < 1e-7
assert sisso.models[1][0].test_rmse < 1e-8 assert sisso.models[1][0].test_rmse < 1e-7
if __name__ == "__main__": if __name__ == "__main__":
......
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