Change log

glotzerlab-software releases update regularly. Releases are numbered by the year, month, and optionally the day separated by periods.

2022

2022-07-12

Fixed

  • expanse-gpu execution with more than one MPI rank.

Added

  • cupy Python package.

2022-07-11

Added

  • delta image with support for NCSA Delta.

2021

2021-12-01

Added

  • signac-dashboard Python package.

Changed

  • Added expanse-gpu image with support for XSEDE Expanse’s GPU nodes.
    • Expanse CPU jobs should use the expanse image and module load cpu singularitypro gcc/9.2.0 openmpi/4.1.1.
    • GPU jobs should use the expanse-gpu image and module load gpu singularitypro openmpi/4.0.4.

2021.11.09

Changed

  • Use Ubuntu 20.04 base image.
  • Use CUDA 11 base image.

Removed

  • Stampede2 image.

2021.06.08

Added:

  • Image for SDSC Expanse.

Removed:

  • Image for SDSC Comet.

2021.04.21

Added:

  • Environment variables that identify source commit and configuration of the image: GLOTZERLAB_SOFTWARE_GIT_SHA, GLOTZERLAB_SOFTWARE_GIT_BRANCH, GLOTZERLAB_SOFTWARE_CONFIGURATION, and GLOTZERLAB_SOFTWARE_TAG

Changed:

  • New images are now pushed to Docker Hub on every commit to the mainline branches.
  • Future change log entries will no longer document version bumps.

2021.03.24

Changed:

  • glotzerlab-software images are no longer hosted at https://glotzerlab.engin.umich.edu. Use singularity pull software.sif docker://glotzerlab/software to download the image.

Updated:

  • freud v2.5.0
  • fresnel v0.13.1
  • gsd v2.4.1
  • libgetar v1.1.0
  • HOOMD-blue
    • v2.9.6
    • Beta: v3.0.0-beta.5
  • signac-flow v0.13.0

2021.02.25

Updated:

  • Python 3.8
  • HOOMD-blue
    • v2.9.4
    • Beta: v3.0.0-beta.4

2021.01.15

Added:

  • Support PSC Bridges-2

Updated:

  • freud v2.4.1
  • rowan v1.3.0.post1
  • signac v1.5.1
  • HOOMD-blue
    • Beta: v3.0.0-beta.3

Removed:

  • Support for PSC Bridges

2020

2020.12.15

Updated:

  • HOOMD-blue
    • Beta: v3.0.0-beta.2

2020.11.18

Updated:

  • coxeter v0.4.0
  • freud v2.4.0
  • garnett v0.7.1
  • gsd v2.4.0
  • signac v1.5.0
  • signac-flow v0.11.0

2020.10

Updated:

  • gsd v2.2.0
  • HOOMD-blue
    • Stable: v2.9.3
    • Beta: v3.0.0-beta.1

2020.07

Updated:

  • gsd v2.1.2
  • HOOMD-blue v2.9.2

2020.04

Updated:

  • fresnel v0.12.0
  • freud v2.2.0
  • garnett v0.7.1
  • gsd v2.1.1

Changed:

  • Temporarily removed garnett: Ubuntu 18.04 does not provide a compatible numpy or tqdm.

Fixed:

  • Add python3-filelock

2020.02

Updated:

  • freud v2.1.0
  • gsd v2.0.0
  • HOOMD-blue v2.9.0
  • signac v1.3.0
  • signac-flow v0.9.0

2019

2019.12

Updated:

  • freud v2.0.1
  • gsd v1.10.0
  • HOOMD-blue v2.8.1

Library/OS updates:

  • Ubuntu 18.04 and Python 3.6 now on all systems
  • Great Lakes now requires module load openmpi/4.0.2
  • Bridges images are broken. Please use the nompi images on Bridges until we can resolve MPI support issues on Bridges.

2019.11

Updated:

  • fresnel v0.11.0
  • freud v2.0.0
  • garnett v0.6.1
  • HOOMD-blue v2.8.0

Library/OS updates:

  • Ubuntu 18.04 [not on comet]
  • Python 3.6 [not on comet]

Supported systems:

  • Removed UMich Flux

2019.10

Updated:

  • fresnel v0.10.1
  • gsd v1.9.3
  • HOOMD-blue v2.7.0
  • rowan v1.2.2
  • plato v1.7.0

2019.09

Updated:

  • fresnel v0.10.0
  • freud v1.2.2
  • garnett v0.5.0
  • gsd v1.8.1
  • signac-flow v0.8.0

Library/OS updates:

  • embree v3.6.1
  • [summit] TBB 2019_U8
  • [summit] scipy v1.3.1
  • [greatlakes] Ubuntu 18.04
  • [greatlakes] Python 3.6

Supported systems:

  • Added UMich Great Lakes

2019.08

New software:

  • garnett v0.4.1

Updated:

  • freud v1.2.1
  • gsd v1.8.0
  • libgetar v1.0.1
  • pythia v0.2.5
  • siganc v1.2.0

2019.07

Updated:

  • freud v1.2.0
  • HOOMD-blue v2.6.0
  • rowan v1.2.1
  • plato v1.6.0
  • siganc v1.1.0

2019.05

Updated:

  • fresnel v0.9.0
  • GSD v1.7.0
  • HOOMD-blue v2.5.2
  • signac-flow v0.7.1

2019.03

Updated:

  • fresnel v0.8.0
  • freud v1.0.0
  • GSD v1.6.1
  • HOOMD-blue v2.5.1
  • rowan v1.2.0
  • signac v1.0.0

Library updates:

  • embree 3.5.2

2019.02

Updated:

  • fresnel v0.7.1
  • HOOMD-blue v2.5.0
  • rowan v1.1.7
  • signac v0.9.5
  • [summit] scipy v1.2.0

Library updates:

  • embree 3.4.0
  • TBB 2019_U3

Fixes:

  • Stampede2 multi-node MPI now works

2019.01

Updated:

  • gsd v1.6.0
  • HOOMD-blue v2.4.2
  • plato v1.4.0
  • signac-flow v0.6.4

2018

2018.12

Updated:

  • Freud v0.11.4
  • gsd v1.5.5
  • HOOMD-blue v2.4.1
  • plato v1.3.0
  • pythia v0.2.4

Supported systems:

  • Added Summit build scripts

2018.11

Updated:

  • Freud v0.11.3
  • HOOMD-blue v2.4.0
  • libgetar v0.7.0
  • plato v1.2.0
  • pythia v0.2.3
  • rowan v1.1.6
  • signac v0.9.4

2018.10

Updated:

  • Embree v3.2.1
  • Freud v0.11.0
  • GSD v1.5.4
  • HOOMD-blue v2.3.5

2018.09

Changes:

  • Documentation now on readthedocs.org
  • Latest images are now available directly from singularity-hub

Updated:

  • Freud v0.10.0
  • libgetar v0.6.1
  • Rowan v1.1.0
  • Signac-flow v0.6.3

2018.08

Updated:

  • Fresnel v0.6.0
  • Freud v0.9.0
  • HOOMD-blue v2.3.4

2018.07

Added:

  • pyhull

Updated:

  • Freud v0.8.2
  • HOOMD-blue v2.3.3
  • Signac v0.9.3
  • Signac-flow v0.6.1

2018.06

Added:

  • ffmpeg
  • h5py
  • jupyter
  • mpi4py
  • pandas
  • pillow
  • PyQt5
  • pyyaml
  • scipy
  • scikit-learn
  • libgetar v0.5.4
  • Pythia v0.2.2
  • Rowan v0.6.1
  • Plato v1.1.0

Updated:

  • Freud v0.8.1
  • GSD v1.5.3
  • HOOMD-blue v2.3.1
  • Signac-flow v0.6.0

2018.04

Changes:

  • Tag MPI enabled builds for specific clusters
  • Support SDSC Comet, PSC Bridges, TACC Stampede2, and University of Michigan Flux clusters.

Updated:

  • Freud v0.8.0
  • GSD v1.5.2
  • HOOMD-blue v2.3.0

2018.03

The initial release includes:

Glotzerlab software versions:

  • Fresnel v0.5.0
  • Freud v0.7.0
  • GSD v1.5.1
  • HOOMD-blue v2.2.4
  • Signac v0.9.2
  • Signac-flow v0.5.6

Commonly used tools:

  • LLVM/clang
  • python3
  • matplotlib
  • numpy
  • pytest
  • sphinx