From 6b820831e8c5819ebef60196ff56f6a174c3cd4a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?J=C3=B6rg=20Sa=C3=9Fmannshausen?= <43338785+sassy-crick@users.noreply.github.com> Date: Wed, 18 Dec 2024 15:53:21 +0000 Subject: [PATCH] Revert "{bio}[GCCcore/13.3.0] rDock v24.03.192" --- .../r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb | 48 ------------------- 1 file changed, 48 deletions(-) delete mode 100644 easybuild/easyconfigs/r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb diff --git a/easybuild/easyconfigs/r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb b/easybuild/easyconfigs/r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb deleted file mode 100644 index 44ae4090d0a..00000000000 --- a/easybuild/easyconfigs/r/rDock/rDock-24.03.192-GCCcore-13.3.0.eb +++ /dev/null @@ -1,48 +0,0 @@ -# Author: J. Sassmannshausen (Imperial College London/UK) - -easyblock = 'ConfigureMake' - -name = 'rDock' -version = '24.03.192' - -homepage = 'https://rdock.github.io/' -description = """ -rDock is a fast and versatile Open Source docking program that can be used to dock small -molecules against proteins and nucleic acids. It is designed for High Throughput Virtual -Screening (HTVS) campaigns and Binding Mode prediction studies. -""" - -toolchain = {'name': 'GCCcore', 'version': '13.3.0'} - -source_urls = ['https://github.com/CBDD/rDock/archive/'] -sources = ['v%(version)s.tar.gz'] -checksums = ['4cb4267831a30010d2bca7daf13f74ab113df2c19a140859e9878a02038f551b'] - -builddependencies = [ - ('binutils', '2.42'), -] -dependencies = [ - ('tcsh', '6.24.13'), - ('popt', '1.19'), -] - -configure_without_installdir = True -configure_cmd = ' ' - -preinstallopts = 'export PREFIX=%(installdir)s && ' - -runtest = 'test' - -postinstallcmds = ['sed -i "s|/bin/csh -f|/usr/bin/env tcsh -f|" %(installdir)s/bin/make_grid.csh'] - -sanity_check_paths = { - 'files': ['bin/rbhtfinder', 'bin/sdreport', 'bin/run_rbdock.pl', 'lib/libRbt.so'], - 'dirs': ['include'], -} - -sanity_check_commands = [ - 'rbdock --help', - 'rbcavity --help', -] - -moduleclass = 'bio'