From 0eb27c45ef3a1df43104f2fca53aa16e7140e705 Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Fri, 11 Oct 2024 18:20:48 +0200 Subject: [PATCH 1/2] GROMACS h5md-protype-release-1 --- ...foss-2023b-software-commit.eb => GROMACS-foss-2023b.eb} | 7 ++----- easystacks/gromacs-eb-4.9.4-dev.yml | 4 ++-- 2 files changed, 4 insertions(+), 7 deletions(-) rename easyconfigs/{GROMACS-2024.3-foss-2023b-software-commit.eb => GROMACS-foss-2023b.eb} (93%) diff --git a/easyconfigs/GROMACS-2024.3-foss-2023b-software-commit.eb b/easyconfigs/GROMACS-foss-2023b.eb similarity index 93% rename from easyconfigs/GROMACS-2024.3-foss-2023b-software-commit.eb rename to easyconfigs/GROMACS-foss-2023b.eb index bc9215d..981d41f 100644 --- a/easyconfigs/GROMACS-2024.3-foss-2023b-software-commit.eb +++ b/easyconfigs/GROMACS-foss-2023b.eb @@ -33,11 +33,8 @@ It also contains the gmxapi extension for the single precision MPI build. toolchain = {'name': 'foss', 'version': '2023b'} toolchainopts = {'openmp': True, 'usempi': True} -github_account = 'gromacs' -source_urls = ['https://github.com/%(github_account)s/%(name)s/archive/'] - - -sources = ['%(software_commit)s.tar.gz'] +source_urls = ['https://gitlab.com/gromacs/gromacs/-/archive/%(software_commit)s/'] +sources = ['gromacs-%(software_commit)s.tar.gz'] patches = [ 'GROMACS-2023.1_set_omp_num_threads_env_for_ntomp_tests.patch', diff --git a/easystacks/gromacs-eb-4.9.4-dev.yml b/easystacks/gromacs-eb-4.9.4-dev.yml index 2dc2305..f01107b 100644 --- a/easystacks/gromacs-eb-4.9.4-dev.yml +++ b/easystacks/gromacs-eb-4.9.4-dev.yml @@ -1,4 +1,4 @@ easyconfigs: - - GROMACS-2024.3-foss-2023b-software-commit.eb: + - GROMACS-foss-2023b.eb: options: - software-commit: d0f934abfd1394621c40858a2c2dd9123451df4e # release 2024.3 + software-commit: h5md-protype-release-1 From 6ed16c229391638c63b3e083f607e8d5ae0e10d7 Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Fri, 11 Oct 2024 20:40:17 +0200 Subject: [PATCH 2/2] use commit ID for h5md-protype-release-1 tag/release of GROMACS --- easystacks/gromacs-eb-4.9.4-dev.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easystacks/gromacs-eb-4.9.4-dev.yml b/easystacks/gromacs-eb-4.9.4-dev.yml index f01107b..21477bb 100644 --- a/easystacks/gromacs-eb-4.9.4-dev.yml +++ b/easystacks/gromacs-eb-4.9.4-dev.yml @@ -1,4 +1,4 @@ easyconfigs: - GROMACS-foss-2023b.eb: options: - software-commit: h5md-protype-release-1 + software-commit: fcc10d133b3411c9f3912b381f12a8e7515cf2dd # h5md-protype-release-1 tag/release