From 02d1c4a0a298dc1deb8637fb8613ac6a893e7100 Mon Sep 17 00:00:00 2001
From: Thomas Purcell <purcell@fhi-berlin.mpg.de>
Date: Wed, 22 Jul 2020 16:45:02 +0200
Subject: [PATCH] test with conda and not cmake
See if that fixes problems with pytest
---
.gitlab-ci.yml | 14 +++++++-------
src/CMakeLists.txt | 2 +-
tests/test_sisso.py | 4 ++--
3 files changed, 10 insertions(+), 10 deletions(-)
diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 92f69faf..b90c6b2c 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -10,9 +10,9 @@ build-intel:
- module load intel impi cmake anaconda/3/2019.03 mpi4py
- mkdir build_intel/
- cd build_intel/
- - python -m venv sisso
- - source sisso/bin/activate
- - pip install numpy scipy pandas pytest
+ - conda create -p sisso/ python=3.7 mkl numpy scipy pandas pytest
+ - export PATH=`pwd`/sisso/bin/:$PATH
+ - export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$MKLROOT/lib/intel64/
- cmake -C ../cmake/toolchains/intel_py.cmake ../
- make
- make install
@@ -24,12 +24,12 @@ build-intel:
build-gnu:
stage: build
script:
- - module load gcc impi cmake anaconda/3/2019.03 mpi4py
+ - module load gcc impi mkl cmake anaconda/3/2019.03 mpi4py
- mkdir build_gcc/
- cd build_gcc/
- - python -m venv sisso
- - source sisso/bin/activate
- - pip install numpy scipy pandas pytest
+ - conda create -p sisso/ python=3.7 mkl numpy scipy pandas pytest
+ - export PATH=`pwd`/sisso/bin/:$PATH
+ - export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$MKLROOT/lib/intel64/
- cmake -C ../cmake/toolchains/gnu_py.cmake ../
- make
- make install
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index e63ca18a..93cfa031 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -35,7 +35,7 @@ install(TARGETS sisso++ DESTINATION ${CMAKE_CURRENT_LIST_DIR}/../bin/)
if(USE_PYTHON)
include(${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}")
file(GLOB_RECURSE SISSOLIB_SOURCES *.cpp)
list(REMOVE_ITEM SISSOLIB_SOURCES ${CMAKE_CURRENT_LIST_DIR}/main.cpp)
diff --git a/tests/test_sisso.py b/tests/test_sisso.py
index e3326a75..117a23d7 100644
--- a/tests/test_sisso.py
+++ b/tests/test_sisso.py
@@ -24,8 +24,8 @@ def test_sisso():
shutil.rmtree("models/")
shutil.rmtree("feature_space/")
- assert sisso.models[1][0].rmse < 1e-8
- assert sisso.models[1][0].test_rmse < 1e-8
+ assert sisso.models[1][0].rmse < 1e-7
+ assert sisso.models[1][0].test_rmse < 1e-7
if __name__ == "__main__":
--
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