From 21b212e1ad7cc13962bd1f1a0b52e7e9b25cd3e5 Mon Sep 17 00:00:00 2001 From: Samuel Moors Date: Sat, 11 Jan 2025 14:22:14 +0100 Subject: [PATCH] update --- .../OpenFold-2.0.0-foss-2023a-CUDA-12.1.1.eb | 17 ++++++++--------- 1 file changed, 8 insertions(+), 9 deletions(-) diff --git a/easybuild/easyconfigs/o/OpenFold/OpenFold-2.0.0-foss-2023a-CUDA-12.1.1.eb b/easybuild/easyconfigs/o/OpenFold/OpenFold-2.0.0-foss-2023a-CUDA-12.1.1.eb index d631fd44f8b..f80dc82129d 100644 --- a/easybuild/easyconfigs/o/OpenFold/OpenFold-2.0.0-foss-2023a-CUDA-12.1.1.eb +++ b/easybuild/easyconfigs/o/OpenFold/OpenFold-2.0.0-foss-2023a-CUDA-12.1.1.eb @@ -92,11 +92,11 @@ exts_list = [ }), ] -local_resources_dir = '%(installdir)s/lib/python%(pyshortver)s/site-packages/openfold/resources/' -# local_resources_target_dir = '/databases/bio/%(namelower)s-%(version)s' +_resources_dir = '%(installdir)s/lib/python%(pyshortver)s/site-packages/openfold/resources/' +_resources_target_dir = '/databases/bio/%(namelower)s-%(version)s' -local_scp_url = 'https://git.scicore.unibas.ch/schwede/openstructure/-/raw/' -local_scp_url += '7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt' +_scp_url = 'https://git.scicore.unibas.ch/schwede/openstructure/-/raw/' +_scp_url += '7102c63615b64735c4941278d92b554ec94415f8/modules/mol/alg/src/stereo_chemical_props.txt' postinstallcmds = [ 'cp -a run_pretrained_openfold.py thread_sequence.py train_openfold.py %(installdir)s/bin', @@ -106,13 +106,12 @@ postinstallcmds = [ # see also install_third_party_dependencies.sh script; # we currently can't let EasyBuild download (and cache + checksum) this, # because an extension can only have a single source file, and (Python)Bundle doesn't allow any "parent" downloads - "cd %%(builddir)s && curl -OL %s && cp -a stereo_chemical_props.txt %s" % (local_scp_url, local_resources_dir), + "cd %s && curl -OL %s" % (_resources_dir, _scp_url), # manually download openfold parameters and alphafold parameters # see scripts download_alphafold_params.sh + download_openfold_params.sh - # download to local_resources_target_dir and add symlinks in local_resources_dir - # or download directly into local_resources_dir - # 'ln -s %s/openfold_params %s' % (local_resources_target_dir, local_resources_dir), - # 'ln -s %s/params %s' % (local_resources_target_dir, local_resources_dir), + # download to local_resources_target_dir and add symlinks in _resources_dir + # or download directly into _resources_dir + # 'cd %s && for n in %s/*; do ln -s $n; done' % (_resources_dir, _resources_target_dir), ] fix_python_shebang_for = ['bin/*.py', '/bin/scripts/*.py']