From 6d5298cc4ae6fb1ca1d0a76cfdcdb7c7367738dd Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Luk=C3=A1=C5=A1=20Krup=C4=8D=C3=ADk?= Date: Mon, 22 Oct 2018 13:19:45 +0200 Subject: [PATCH] new file: r/Rosetta/Rosetta-3.10-intel-2017c.eb new file: r/Rosetta/Rosetta-3.7-foss-2016b.eb new file: s/SCons/SCons-3.0.1-Py-2.7.eb --- r/Rosetta/Rosetta-3.10-intel-2017c.eb | 18 ++++++++++++++++++ r/Rosetta/Rosetta-3.7-foss-2016b.eb | 16 ++++++++++++++++ s/SCons/SCons-3.0.1-Py-2.7.eb | 22 ++++++++++++++++++++++ 3 files changed, 56 insertions(+) create mode 100644 r/Rosetta/Rosetta-3.10-intel-2017c.eb create mode 100644 r/Rosetta/Rosetta-3.7-foss-2016b.eb create mode 100644 s/SCons/SCons-3.0.1-Py-2.7.eb diff --git a/r/Rosetta/Rosetta-3.10-intel-2017c.eb b/r/Rosetta/Rosetta-3.10-intel-2017c.eb new file mode 100644 index 00000000..12466ae8 --- /dev/null +++ b/r/Rosetta/Rosetta-3.10-intel-2017c.eb @@ -0,0 +1,18 @@ +# IT4Innovations 2018 + +name = 'Rosetta' +version = '3.10' + +homepage = 'https://www.rosettacommons.org' +description = """Rosetta is the premier software suite for modeling macromolecular structures. As a flexible, +multi-purpose application, it includes tools for structure prediction, design, and remodeling of proteins and +nucleic acids.""" + +toolchain = {'name': 'intel', 'version': '2017c'} +toolchainopts = {'usempi': True} + +sources = ['%(namelower)s_src_%(version)s_bundle.tgz'] + +builddependencies = [('SCons', '3.0.1', '-Py-2.7', True)] + +moduleclass = 'bio' diff --git a/r/Rosetta/Rosetta-3.7-foss-2016b.eb b/r/Rosetta/Rosetta-3.7-foss-2016b.eb new file mode 100644 index 00000000..00858b73 --- /dev/null +++ b/r/Rosetta/Rosetta-3.7-foss-2016b.eb @@ -0,0 +1,16 @@ +name = 'Rosetta' +version = '3.7' + +homepage = 'https://www.rosettacommons.org' +description = """Rosetta is the premier software suite for modeling macromolecular structures. As a flexible, +multi-purpose application, it includes tools for structure prediction, design, and remodeling of proteins and +nucleic acids.""" + +toolchain = {'name': 'foss', 'version': '2016b'} +toolchainopts = {'usempi': True} + +sources = ['%(namelower)s_src_%(version)s_bundle.tgz'] + +builddependencies = [('SCons', '2.5.0', '-Python-2.7.12')] + +moduleclass = 'bio' diff --git a/s/SCons/SCons-3.0.1-Py-2.7.eb b/s/SCons/SCons-3.0.1-Py-2.7.eb new file mode 100644 index 00000000..eed41127 --- /dev/null +++ b/s/SCons/SCons-3.0.1-Py-2.7.eb @@ -0,0 +1,22 @@ +# IT4Innovations 2018 + +easyblock = "PythonPackage" +name = 'SCons' +version = '3.0.1' + +homepage = 'https://github.com/benjaminp/six' +description = 'Python 2 and 3 compatibility library.' + +toolchain = {'name': 'Py', 'version': '2.7'} + +source_urls = [PYPI_SOURCE] +sources = [SOURCELOWER_TAR_GZ] + +options = {'modulename': False} + +sanity_check_paths = { + 'files': ['bin/scons', 'bin/scons-time', 'bin/sconsign'], + 'dirs': ['lib/%(namelower)s-%(version)s'], +} + +moduleclass = 'python'