From a07c38d009b8b3e69cea1501c781df9026e50455 Mon Sep 17 00:00:00 2001
From: Chun Jiang Zhu <chun_jiang.zhu@uconn.edu>
Date: Sat, 20 Jun 2020 22:52:58 -0400
Subject: [PATCH] add ann-bench-chemfp.def

---
 singularity-install/ann-bench-chemfp.def  | 13 +++++++++++++
 singularity-install/ann-bench-python2.def | 15 +++++++++++++++
 2 files changed, 28 insertions(+)
 create mode 100644 singularity-install/ann-bench-chemfp.def
 create mode 100644 singularity-install/ann-bench-python2.def

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