diff --git a/singularity-install/ann-bench-chemfp.def b/singularity-install/ann-bench-chemfp.def new file mode 100644 index 0000000..8321cd7 --- /dev/null +++ b/singularity-install/ann-bench-chemfp.def @@ -0,0 +1,13 @@ +Bootstrap: localimage +From: ann-bench-python2.sif + +%files +ann-bench-python2.sif + +%post +pip install chemfp bitarray h5sparse enum34 + +python -c 'import chemfp' + +%runscript +python run_algorithm.py diff --git a/singularity-install/ann-bench-python2.def b/singularity-install/ann-bench-python2.def new file mode 100644 index 0000000..1631bf7 --- /dev/null +++ b/singularity-install/ann-bench-python2.def @@ -0,0 +1,15 @@ +Bootstrap: library +From: ubuntu:16.04 + +%files +requirements.txt +run_algorithm.py + +%post +apt-get update +apt-get install -y python-numpy python-scipy python-pip build-essential git + +pip install -rrequirements.txt + +%runscript +python run_algorithm.py