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new file: l/Lmod/Lmod-7.4.8.eb
modified: l/Lua/Lua-5.3.4.eb new file: m/MIKE/MIKE-2017.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-5.4.0-foss-2016.04.eb modified: s/ScientificPython/ScientificPython-2.9.4-intel-2017a-Python-2.7.13.eb deleted: l/Lmod/Lmod-7.4.4.eb
This commit is contained in:
Easy Build
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@ -1,7 +1,7 @@
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easyblock = 'ConfigureMake'
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name = "Lmod"
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version = "7.4.4"
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version = "7.4.8"
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homepage = "http://sourceforge.net/projects/lmod/"
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description = """Lmod is a Lua based module system. Modules allow for dynamic modification
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@ -23,7 +23,7 @@ builddependencies = [
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skipsteps = ['configure' ]
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buildopts = "linux"
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buildopts = "posix"
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installopts = "INSTALL_TOP=%(installdir)s"
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sanity_check_paths = {
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32
m/MIKE/MIKE-2017.eb
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32
m/MIKE/MIKE-2017.eb
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easyblock = 'ConfigureMake'
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name = "MIKE"
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version = '2017'
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homepage = 'http://www.mikepoweredbydhi.com'
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description = """
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MIKE Powered by DHI is a part of DHI, the global organisation dedicated to
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solving challenges in water environments worldwide."""
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toolchain = {'name': 'dummy', 'version': ''} # empty version to ensure that dependencies are loaded
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skipsteps = ['source', 'patch', 'prepare','configure', 'build', 'test', 'sanitycheck']
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sanity_check_paths = {
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'files': [''],
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'dirs': ['%(installdir)s/bin']
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}
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dependencies = [('intel', '2017.00')]
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modextrapaths = {"PATH": 'bin',
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"LD_LIBRARY_PATH": 'bin',
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"C_INCLUDE_PATH": 'include',
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"CPLUS_INCLUDE_PATH": 'include'
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}
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modextravars = {'MIKE_HOME': '%(installdir)s',
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'MIKE_DIR': '%(installdir)s'
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}
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moduleclass = 'tools'
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66
q/QuantumESPRESSO/QuantumESPRESSO-5.4.0-foss-2016.04.eb
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66
q/QuantumESPRESSO/QuantumESPRESSO-5.4.0-foss-2016.04.eb
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name = 'QuantumESPRESSO'
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version = '5.4.0'
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homepage = 'http://www.pwscf.org/'
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description = """Quantum ESPRESSO is an integrated suite of computer codes
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for electronic-structure calculations and materials modeling at the nanoscale.
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It is based on density-functional theory, plane waves, and pseudopotentials
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(both norm-conserving and ultrasoft)."""
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toolchain = {'name': 'foss', 'version': '2016.04'}
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toolchainopts = {'usempi': True}
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# major part of this list was determined from espresso/install/plugins_list
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sources = [
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'espresso-%(version)s.tar.gz',
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'wannier90-1.2.tar.gz',
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'atomic-%(version)s.tar.gz',
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'neb-%(version)s.tar.gz',
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'PHonon-%(version)s.tar.gz',
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# must be downloaded manually from
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# http://qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2F%2Acheckout%2A%2Ftags%2FQE-5.2.1%2Fespresso%2Farchive%2Fplumed-1.3-qe.tar.gz&revision=11758
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# gets updated without changes to filename, cfr. http://qe-forge.org/pipermail/q-e-commits/2015-June/007359.html
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# 'plumed-1.3-qe-r11758.tar.gz',
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'pwcond-%(version)s.tar.gz',
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'tddfpt-%(version)s.tar.gz',
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'want-2.5.1-base.tar.gz',
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'yambo-3.4.2.tgz',
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'xspectra-%(version)s.tar.gz',
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]
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#missing_sources = [
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# 'sax-2.0.3.tar.gz', # nowhere to be found
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#]
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#source_urls = [
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# 'http://files.qe-forge.org/index.php?file=', # all sources, except espresso*.tar.gz
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# 'http://qe-forge.org/gf/download/frsrelease/211/968/', # espresso-5.4.0.tar.gz
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# 'http://qe-forge.org/gf/download/frsrelease/153/618/', # want-2.5.1-base.tar.gz
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# 'http://qe-forge.org/gf/download/frsrelease/208/932/', # yambo-3.4.2.tgz
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#]
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patches = [
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'QuantumESPRESSO-%(version)s_yambo-fixes.patch',
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]
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# source checksums
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#checksums = [
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# '8bb78181b39bd084ae5cb7a512c1cfe7', # espresso-5.4.0.tar.gz
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# 'a1e9611b9a82941c23426028d112186e', # wannier90-1.2.tar.gz
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# '24dc0d8bf5cf4eb4dc38e1c18a80b3ee', # atomic-5.4.0.tar.gz
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# '254f929259fb06036b78c493cf18e5d6', # neb-5.4.0.tar.gz
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# 'f641fe9dcf0ec8f1e47d74e3c7c39705', # PHonon-5.4.0.tar.gz
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# 'f094031c6d13a0e00022daf4d7c847c7', # plumed-1.3-qe-r11758.tar.gz
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# '31c1cd8cd76752833a9205d456093d0a', # pwcond-5.4.0.tar.gz
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# '2101533a627644ef467b60d400977eab', # tddfpt-5.4.0.tar.gz
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# 'ac365daebbe380bf4019235eacf71079', # want-2.5.1-base.tar.gz
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# 'f0820a0f42dfc81ce3811af647bed777', # yambo-3.4.2.tgz
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# '95080929c87389cd15cf765048cfc9d2', # xspectra-5.4.0.tar.gz
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#]
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# gipaw excluded due to: configure: error: Cannot compile against this version of Quantum-Espresso
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# add plumed and uncomment the lines in sources and checksums if the package is downloaded manually
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buildopts = 'all' # plumed
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# parallel build tends to fail
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parallel = 1
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moduleclass = 'chem'
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@ -16,7 +16,6 @@ sources = [SOURCE_TAR_GZ]
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dependencies = [
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('Python', '2.7.13', '', True),
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('netCDF-Fortran', '4.4.4'),
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# older version of numpy than the one included in Python module required
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# cfr. https://bitbucket.org/khinsen/scientificpython/issue/13/numpy-19-has-dropped-support-for
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#('numpy', '1.12.1', versionsuffix),
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