From 7aa871b161f1d6b6cc28dac9cc93e1e06ec19e82 Mon Sep 17 00:00:00 2001
From: ilia Nikiforov <nikif002@umn.edu>
Date: Sat, 22 Jun 2024 15:17:06 -0500
Subject: [PATCH] initial branch commit

---
 docker/config/Dockerfile  |  7 +++++++
 docker/git/Dockerfile     |  3 +++
 docker/install/Dockerfile | 22 +++++++++-------------
 docker/sys/Dockerfile     |  1 +
 4 files changed, 20 insertions(+), 13 deletions(-)

diff --git a/docker/config/Dockerfile b/docker/config/Dockerfile
index 43aad81..5b0e3b4 100644
--- a/docker/config/Dockerfile
+++ b/docker/config/Dockerfile
@@ -136,5 +136,12 @@ RUN chmod 4755 /usr/bin/sudo
 RUN chown -R openkim:openkim /home/openkim/
 RUN chown -R openkim:openkim /pipeline/
 
+
+# TODO: Maybe a better way to do this? I want kim-property to be editable
+RUN pip3 uninstall -y kim-property
+
 USER openkim
+
+RUN pip3 --no-cache-dir install kim-property==2.6.2
+
 WORKDIR /home/openkim/
diff --git a/docker/git/Dockerfile b/docker/git/Dockerfile
index 50b405c..743ea83 100644
--- a/docker/git/Dockerfile
+++ b/docker/git/Dockerfile
@@ -28,3 +28,6 @@ RUN git clone -q https://gitlab.com/openkim/ase -b user-species ${PACKAGE_DIR}/a
 RUN git clone -q https://gitlab.com/micronano_public/MDpp -b release ${PACKAGE_DIR}/MD++ \
   && cd ${PACKAGE_DIR}/MD++ \
   && git checkout f7d64a7720a4bc1602371a128c8db7779fcf8dcb
+RUN git clone -q https://github.com/openkim/kim-test-utils -b main ${PACKAGE_DIR}/kim-test-utils \
+  && cd ${PACKAGE_DIR}/kim-test-utils \
+  && git checkout 11ac5dd696cf7f17522e221d5efd7e03e4ea9279
diff --git a/docker/install/Dockerfile b/docker/install/Dockerfile
index 37a2c5c..b147c10 100644
--- a/docker/install/Dockerfile
+++ b/docker/install/Dockerfile
@@ -39,7 +39,7 @@ RUN ${PIP} install markupsafe==2.0.1
 RUN ${PIP} install Jinja2==2.11.3
 RUN ${PIP} install edn_format==0.7.5
 RUN ${PIP} install kim-edn==1.4.1
-RUN ${PIP} install kim-property==2.6.1
+RUN ${PIP} install kim-property==2.6.2
 RUN ${PIP} install kim-query==3.0.0
 RUN ${PIP} install simplejson==3.17.2
 RUN ${PIP} install numpy==1.19.5
@@ -89,18 +89,8 @@ RUN cd ${PACKAGE_DIR} \
 #########################################
 ## numdifftools
 #########################################
-# Note that installing from the github repo rather than PyPI requires that git
-# be installed because it uses pbr (https://docs.openstack.org/pbr/latest/). If
-# we really want, we can build an sdist when we clone the numdifftools repo via
-# `python setup.py sdist && pip install dist/*`, but I'm forgoing this for now
-ARG DEBIAN_FRONTEND=noninteractive
-RUN apt-get update -qq \
- && apt-get install --no-install-recommends -qqy git \
- && cd ${PACKAGE_DIR}/numdifftools \
- && ${PIP} install . \
- && apt-get purge -y git \
- && apt-get clean \
- && rm -fr /var/lib/apt/lists/*
+RUN cd ${PACKAGE_DIR}/numdifftools \
+ && ${PIP} install . 
 
 #########################################
 ## kimpy
@@ -167,6 +157,12 @@ RUN cd ${PACKAGE_DIR}/kim-python-utils \
 RUN cd ${PACKAGE_DIR}/crystal-genome-util \
  && ${PIP} install .
 
+#########################################
+## kim-test-utils
+#########################################
+RUN cd ${PACKAGE_DIR}/kim-test-utils \
+ && ${PIP} install .
+
 #########################################
 ## convergence
 #########################################
diff --git a/docker/sys/Dockerfile b/docker/sys/Dockerfile
index a0660e3..45f95f1 100644
--- a/docker/sys/Dockerfile
+++ b/docker/sys/Dockerfile
@@ -39,5 +39,6 @@ RUN apt-get update -qq \
  valgrind \
  tree \
  libfreetype6-dev \
+ git \
  && apt-get clean \
  && rm -fr /var/lib/apt/lists/*