Macs in Chemistry

Insanely Great Science

Scientific Applications under macOS 12 Monterey Update 1

 

General Issues with Monterey

After a period of open beta testing MacOS 12 Monterey is here.

monterey

If you want an overview of Monterey I'd recommend the excellent arstechnica review.

Monterey supports both Intel and Apple Silicon Macs, the list of supported Macs:

  • Early 2015 and later MacBook Air
  • Early 2015 and later MacBook Pro
  • Early 2016 and later MacBook
  • Late 2015 and later iMac
  • Late 2014 and later Mac mini
  • 2017 and later iMac Pro
  • Late 2013 and later Mac Pro

You can find out your Mac model by tapping on the Apple icon in the menu bar and going to About This Mac. Unsupported Macs will continue to get security updates for Big Sur (for 2 years) and Catalina (this is last year?).

Scientific Applications

I've contacted all developers I know and their responses to date are shown below, first impressions are this is a relatively benign update.

4-Peaks

Absoft Absoft Pro Fortran 2022 For macOS Fully compatible with macOS Monterey (12.0)

alvaDesc We have tested our tools on Monterey and they work fine.

Amsterdam Modeling Suite

Anaconda

APE New version uploaded for Monterey

Avogadro no issues reported

BBEdit version 14.0.2 is recommended with macOS Monterey.

Brainsight

ChemAxon Most of our software in general requires Java, so as long as the appropriate Java version is installed, there should be no problem.

ChemDraw no issues with initial tests

ChemDoodle ChemDoodle 2D and ChemDoodle 3D are both fully supported on macOS 12 Monterey with no known issues

Chirys View no issues with initial tests

Conquest and Mercury from CCDC The full CSD software portfolio, including Mercury, ConQuest, Mogul, GOLD, CSD-CrossMiner, the CSD Python API, and other components, is expected to be fully supported on macOS 12 Monterey from the next major release - the 2021.3 CSD Release which is due in December 2021. We don't anticipate any significant problems with Monterey based on our initial checks, but we are running more extensive platform tests now to confirm that."

Cresset testing underway

CrystalMaker supports all from macOS 10.12 "Sierra" to 12.x "Monterey"

We are also very-pleased to announce the immediate availability of CrystalMaker 10.6 for Mac, SingleCrystal 4.1 and CrystalDiffract 10.9 for Apple Silicon: these are Universal Binaries and provide 100% native performance on the new Apple Silicon Macs, as well as 100% native performance on Intel.

CYLView 1.0

DataWarrior Seems to be working fine.

Delta

DEVONagent fine under Big Sur on Intel, not tested on Apple Silicon.

DEVONthink fine under Big Sur on Intel, not tested on Apple Silicon.

Elemental Fine under Monterey and on Apple Silicon

EndNote

EnzymeX

EverNote

Findings

Fujitsu ScanSnap .

GAMESS

Gaussaian We do not currently have an official report for support under macOS Monterey 12. We will be working on this over this week and list it on our website as a supported release if our tests pass successfully. I should also mentioned that we have not received any reports from users about issues with macOS Monterey. We have also run GaussView 6.1.1 and the Gaussian 16 rev. C.01 utilities on beta releases of macOS Monterey prior to the official release. Thus, we do not anticipate any issues with GaussView 6.1.1 and Gaussian 16 rev. C.01 (64-bit) under macOS Monterey on Macs equipped with Intel CPUs.

gFortran Standalone installer of GCC 11.2, including gfortran 11.2, for macOS Monterey (macOS 12). This is for machines with Intel processor.

Highlights

Homebrew For most seems to work fine, remember to reinstall Xcode command line tools.

ICM products. We have not experienced or had any reported issues with Monterey.

Other products that are compatible include:

IDL Version 8.8.1 adds support for M1 Macs

Igor Pro

iNMR

JalView

KaleidaGraph

KNIME no issues with initial tests

Manuscripts no issues reported

Matlab MATLAB is compatible with macOS 12 (Monterey) Running MATLAB and Simulink on Apple silicon Macs is supported in MATLAB R2020b Update 3 and newer. On Apple silicon Macs, MATLAB runs using the Rosetta 2 environment.

Mathematica Mathematica running fine on MacOS Monterey

Mendeley

Microsoft Office any Office for Mac which works with ‘Big Sur’ macOS v11 is OK with ‘Monterey’.

Mnova

MOE Initial tests showed no issues with this version.

MOPAC

NAG Fortran compiler Robust and highly tested Fortran Compiler, valued for its checking capabilities and detailed error reporting. Available on Linux, Microsoft Windows and Mac OS X, including Apple Silicon Macs.

ODYSSEY

Orca Orca and openmpi working fine under Big Sur. I then updated again to Monterey - still working fine.

Papers

PGOPHER

pro Fit

PYMOL On Intel Macs with macOS 12, PyMOL works fine, no known issues.

Python Python 2.7 is no longer included - use Python 3 instead Python works fine on Apple Silicon and is "mad fast!".

QMForge 2.4

R Releases for either Intel or Apple Silicon

RDKit All seems fine (Note: -Python 2.7 is no longer supported - use Python 3 instead)

Samson

Schrodinger macOS 12 Monterey is incompatible with past Schrödinger Suite releases up to and including 2021-4.We are aiming to support macOS 12 in the Schrödinger Suite 2022-1.

SeeSAR

Simply Fortran Fortran development environment for macOS 11.6 or higher on Intel, experimental build for Apple Silicon.

Sketch the latest Sketch release is fully compatible with Apple’s new operating system. And of course, when Universal Control lands in a future macOS Monterey update, it’ll work perfectly with Sketch. Plus, if you’ve recently upgraded to a brand new MacBook Pro, Sketch already supports the new M1 Pro and M1 Max chips. So you can work faster than ever with all the power of your new machine

Spartan Intel or M1 chip, 4 GB RAM or higher, OS 10.12 (Sierra) through OS 12.X (Monterey), ‚Äč128 GB disk space or higher

SPSS

Stardrop a quick update regarding StarDrop 7.1's performance on the new Mac Monterey OS. Our test engineer has begun the process of running our standard testing procedures and noted that there are a couple of very minor cosmetic issues in the GUI but no show-stoppers in terms of performance or functionality. The couple of issues identified are flagged up to be sorted for StarDrop 7.2, which will release in Q1-2022.

Swiss-PdbViewer Swiss-PdbViewer is a 32 bits application and will * NOT * run.

TensorFlow and TensorFlow Addons This pre-release delivers hardware-accelerated TensorFlow and TensorFlow Addons for macOS 11.0+. Native hardware acceleration is supported on Macs with M1 and Intel-based Macs through Apple’s ML Compute framework.

UCSF ChimeraX Details on building M1 version https://www.rbvi.ucsf.edu/chimerax/data/czi-nov2021/apple_m1.html

VMD

Vortex Vortex works perfectly on Intel Macs under Monterey, and on Apple Silicon

WINE

Wizard

wxMacMolPlt

Xcode need to update to latest version. Remember to reinstall command line tools

XQuartz OpenGL and OpenCL are still here, even on Apple Silicon Macs

I’ll add more updates later, feel free to contact me and thanks for the comments to date.

Last update 8 November 2021

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