From 0199420f0aa399e66a136e0a32dcbe5bd30b1323 Mon Sep 17 00:00:00 2001 From: pescobar Date: Tue, 15 Apr 2014 13:40:53 +0200 Subject: [PATCH 1/3] Modeller-9.13 easyconfig --- .../m/Modeller/Modeller-9.13-Python-2.7.5.eb | 39 +++++++++++++++++++ 1 file changed, 39 insertions(+) create mode 100644 easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb diff --git a/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb new file mode 100644 index 000000000000..641956b9d818 --- /dev/null +++ b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb @@ -0,0 +1,39 @@ +# This file is an EasyBuild reciPY as per https://github.com/hpcugent/easybuild +# Author: Pablo Escobar Lopez +# Swiss Institute of Bioinformatics +# Biozentrum - University of Basel + +name = 'Modeller' +version = '9.13' +versionsuffix = '-Python-2.7.5' + +homepage = 'http://salilab.org/modeller/' +description = """ MODELLER is used for homology or comparative modeling of protein + three-dimensional structures (1,2). The user provides an alignment of a sequence to + be modeled with known related structures and MODELLER automatically calculates + a model containing all non-hydrogen atoms.""" + +# Modeller uses a binary installer running ./Install +toolchain = {'name': 'dummy', 'version': 'dummy'} + +source_urls = ['http://salilab.org/modeller/%(version)s/'] +sources = [SOURCELOWER_TAR_GZ] + +dependencies = [('Python', '2.7.5-goolf-1.4.10', '', True)] + +LICENSEKEY = 'AAABBBCCCDDD' + +sanity_check_paths = { + 'files': ["bin/mod%(version)s", "bin/modpy.sh", "bin/modslave.py"], + 'dirs': ["doc", "lib", "examples"] +} + +# PYTHONPATH is for python 2.5, 2.6 or 2.7 +# LD_LIBRARY_PATH is for x86_64 +modextrapaths = { + 'PYTHONPATH': 'lib/x86_64-intel8/python2.5', + 'LD_LIBRARY_PATH': 'lib/x86_64-intel8' +} + +moduleclass = 'bio' + From be2d50611ae7e9c513a0e88abe65f54e449134d1 Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Mon, 8 Sep 2014 11:32:44 +0200 Subject: [PATCH 2/3] fix Modeller easyconfig after tweaks to easyblock --- .../m/Modeller/Modeller-9.13-Python-2.7.5.eb | 24 +++++-------------- 1 file changed, 6 insertions(+), 18 deletions(-) diff --git a/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb index 641956b9d818..044da4ff2ae5 100644 --- a/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb +++ b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb @@ -5,7 +5,6 @@ name = 'Modeller' version = '9.13' -versionsuffix = '-Python-2.7.5' homepage = 'http://salilab.org/modeller/' description = """ MODELLER is used for homology or comparative modeling of protein @@ -13,27 +12,16 @@ description = """ MODELLER is used for homology or comparative modeling of prot be modeled with known related structures and MODELLER automatically calculates a model containing all non-hydrogen atoms.""" -# Modeller uses a binary installer running ./Install -toolchain = {'name': 'dummy', 'version': 'dummy'} +toolchain = {'name': 'goolf', 'version': '1.4.10'} source_urls = ['http://salilab.org/modeller/%(version)s/'] sources = [SOURCELOWER_TAR_GZ] -dependencies = [('Python', '2.7.5-goolf-1.4.10', '', True)] +python = 'Python' +pyver = '2.7.5' +versionsuffix = '-%s-%s' % (python, pyver) +dependencies = [(python, pyver)] -LICENSEKEY = 'AAABBBCCCDDD' - -sanity_check_paths = { - 'files': ["bin/mod%(version)s", "bin/modpy.sh", "bin/modslave.py"], - 'dirs': ["doc", "lib", "examples"] -} - -# PYTHONPATH is for python 2.5, 2.6 or 2.7 -# LD_LIBRARY_PATH is for x86_64 -modextrapaths = { - 'PYTHONPATH': 'lib/x86_64-intel8/python2.5', - 'LD_LIBRARY_PATH': 'lib/x86_64-intel8' -} +license_key = 'dummykey' moduleclass = 'bio' - From 4a5bd6e8162a9e7379ba728ca20b60859f76c8aa Mon Sep 17 00:00:00 2001 From: Kenneth Hoste Date: Mon, 8 Sep 2014 11:37:04 +0200 Subject: [PATCH 3/3] use existing 'key' easyconfig parameter --- easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb index 044da4ff2ae5..4beaf4d721ff 100644 --- a/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb +++ b/easybuild/easyconfigs/m/Modeller/Modeller-9.13-Python-2.7.5.eb @@ -22,6 +22,6 @@ pyver = '2.7.5' versionsuffix = '-%s-%s' % (python, pyver) dependencies = [(python, pyver)] -license_key = 'dummykey' +key = 'dummykey' moduleclass = 'bio'