From e615ec50d746965d78f82c355da3c15f1e420e4c Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Wed, 8 Nov 2023 00:48:44 -0500 Subject: [PATCH] downgrade GROMACS for macOS to 2021.1 from bioconda (worked previously) --- .github/workflows/ci.yaml | 11 +++++------ 1 file changed, 5 insertions(+), 6 deletions(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 3f264505..bfba221a 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -51,14 +51,13 @@ jobs: python-version: "3.11" gromacs-version: "2022.4" # explicitly include a few macOS runners - # (conda-forge GROMACS 2023.1 is compiled to use rdtscp CPU instruction but these - # are not available in the GitHub runner so we need to use a different GROMACS - # version; locally 2023.1 was successfully tested on Intel macOS 13.5. Try 2021.3 - # from bioconda (2021.1 is on conda-forge, so choosing 2021.3 forces the bioconda - # package...) + # (conda-forge GROMACS >= 2021 is compiled to use rdtscp CPU instruction but these + # are not available in the macOS GitHub runner so we need to use a different GROMACS + # version. Try 2021.1 from bioconda, which worked previously. + # Locally 2023.1 was successfully tested on Intel macOS 13.5.) - os: macOS-latest python-version: "3.11" - gromacs-version: "2021.3" + gromacs-version: "2021.1" env: