Modeller-9.13 easyconfig

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'
+