From 7ba0007cedbc219b95ac1ce03e3463b4aa96e50c Mon Sep 17 00:00:00 2001 From: maxim-masterov Date: Tue, 10 Oct 2023 11:01:09 +0200 Subject: [PATCH 1/2] Specify python in ESPResSo --- .../e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb | 1 + easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb | 1 + .../e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb | 1 + easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb | 1 + 4 files changed, 4 insertions(+) diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb index 9690edeb0ea8..fdd93ce220f8 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb @@ -29,6 +29,7 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=ON' +configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb index b18d54ed895a..48b505bfc9ea 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb @@ -27,6 +27,7 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=OFF' +configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb index 907da191566a..e89797a4b16c 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb @@ -29,6 +29,7 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=ON' +configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb index 032b259661db..6ff43deee935 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb @@ -27,6 +27,7 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=OFF' +configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used runtest = 'check_unit_tests && make check_python' From 66cf178f84cc1b7672de1f1abc104f587224e51e Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Tue, 10 Oct 2023 19:51:16 +0200 Subject: [PATCH 2/2] use -DPYTHON_EXECUTABLE instead of -DPython3_EXECUTABLE to control Python version used by CMake when building ESPResSo --- .../e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb | 3 ++- easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb | 3 ++- .../e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb | 3 ++- easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb | 3 ++- 4 files changed, 8 insertions(+), 4 deletions(-) diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb index fdd93ce220f8..4808bb966328 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a-CUDA-11.3.1.eb @@ -29,7 +29,8 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=ON' -configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used +# make sure the right Python is used (note: -DPython3_EXECUTABLE or -DPython_EXECUTABLE does not work!) +configopts += ' -DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python ' runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb index 48b505bfc9ea..edaea20c78cc 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2021a.eb @@ -27,7 +27,8 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=OFF' -configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used +# make sure the right Python is used (note: -DPython3_EXECUTABLE or -DPython_EXECUTABLE does not work!) +configopts += ' -DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python ' runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb index e89797a4b16c..c524dee3c8c5 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a-CUDA-11.8.0.eb @@ -29,7 +29,8 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=ON' -configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used +# make sure the right Python is used (note: -DPython3_EXECUTABLE or -DPython_EXECUTABLE does not work!) +configopts += ' -DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python ' runtest = 'check_unit_tests && make check_python' diff --git a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb index 6ff43deee935..e5bd5a63f742 100644 --- a/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb +++ b/easybuild/easyconfigs/e/ESPResSo/ESPResSo-4.2.1-foss-2022a.eb @@ -27,7 +27,8 @@ dependencies = [ ] configopts = ' -DCMAKE_SKIP_RPATH=OFF -DWITH_TESTS=ON -DWITH_CUDA=OFF' -configopts += ' -DPython3_EXECUTABLE=$EBROOTPYTHON/bin/python ' # Make sure the right python is used +# make sure the right Python is used (note: -DPython3_EXECUTABLE or -DPython_EXECUTABLE does not work!) +configopts += ' -DPYTHON_EXECUTABLE=$EBROOTPYTHON/bin/python ' runtest = 'check_unit_tests && make check_python'