diff --git a/c/CASMcode/CASMcode-0.2.1-foss-2016a-Python-2.7.13.eb b/c/CASMcode/CASMcode-0.2.1-foss-2016a-Python-2.7.13.eb new file mode 100644 index 00000000..e2736bfc --- /dev/null +++ b/c/CASMcode/CASMcode-0.2.1-foss-2016a-Python-2.7.13.eb @@ -0,0 +1,36 @@ +easyblock = 'ConfigureMake' + +name = 'CASMcode' +version = "0.2.1" + +homepage = 'CASMcode' +description = """CASM (https://github.com/prisms-center/CASMcode) is an open source software +package designed to perform first-principles statistical mechanical studies of multi-component +crystalline solids. CASM interfaces with first-principles electronic structure codes, automates +the construction and parameterization of effective Hamiltonians and subsequently builds highly +optimized (kinetic) Monte Carlo codes to predict finite-temperature thermodynamic and kinetic +properties. CASM uses group theoretic techniques that take full advantage of crystal symmetry +in order to rigorously construct effective Hamiltonians for almost arbitrary degrees of +freedom in crystalline solids. This includes cluster expansions for configurational disorder +in multi-component solids and lattice-dynamical effective Hamiltonians for vibrational +degrees of freedom involved in structural phase transitions.""" + +toolchain = {'name': 'foss', 'version': '2016a'} + +source_urls = ['https://github.com/prisms-center/CASMcode/releases/download/v%(version)s/'] +sources = ['casm-v%(version)s.tar.gz'] + +dependencies = [ + ('Boost', '1.61.0'), + ('Python', '2.7.13', '', True), + ('SCons','2.5.1', '-Python-2.7.13', True) +] + +configopts = '--with-boost=$EBROOTBOOST' + +sanity_check_paths = { + 'files': [], + 'dirs': ['bin'], +} + +moduleclass = 'phys' diff --git a/s/SCons/SCons-2.5.1-Python-2.7.13.eb b/s/SCons/SCons-2.5.1-Python-2.7.13.eb new file mode 100644 index 00000000..3abd16d3 --- /dev/null +++ b/s/SCons/SCons-2.5.1-Python-2.7.13.eb @@ -0,0 +1,26 @@ +easyblock = 'PythonPackage' + +name = 'SCons' +version = '2.5.1' + +homepage = 'http://www.scons.org/' +description = "SCons is a software construction tool." + +toolchain = {'name': 'dummy', 'version': ''} + +sources = [SOURCELOWER_TAR_GZ] +source_urls = ['http://prdownloads.sourceforge.net/%(namelower)s'] + +python = 'Python' +pyver = '2.7.13' +versionsuffix = '-%s-%s' % (python, pyver) +dependencies = [(python, pyver, '', True)] + +sanity_check_paths = { + 'files': ['bin/scons', 'bin/scons-time', 'bin/sconsign'], + 'dirs': ['lib/%(namelower)s-%(version)s/%(name)s'], +} + +options = {'modulename': False} + +moduleclass = 'devel' diff --git a/s/SCons/SCons-2.5.1-intel-2015b-Python-2.7.11.eb b/s/SCons/SCons-2.5.1-intel-2015b-Python-2.7.11.eb new file mode 100644 index 00000000..50817fbb --- /dev/null +++ b/s/SCons/SCons-2.5.1-intel-2015b-Python-2.7.11.eb @@ -0,0 +1,26 @@ +easyblock = 'PythonPackage' + +name = 'SCons' +version = '2.5.1' + +homepage = 'http://www.scons.org/' +description = "SCons is a software construction tool." + +toolchain = {'name': 'intel', 'version': '2015b'} + +sources = [SOURCELOWER_TAR_GZ] +source_urls = ['http://prdownloads.sourceforge.net/%(namelower)s'] + +python = 'Python' +pyver = '2.7.11' +versionsuffix = '-%s-%s' % (python, pyver) +dependencies = [(python, pyver) ] + +sanity_check_paths = { + 'files': ['bin/scons', 'bin/scons-time', 'bin/sconsign'], + 'dirs': ['lib/%(namelower)s-%(version)s/%(name)s'], +} + +options = {'modulename': False} + +moduleclass = 'devel'