Merge branch 'easyconfigs-it4i-salomon'

l/Lmod/Lmod-7.4.8.eb

@@ -1,7 +1,7 @@
 easyblock = 'ConfigureMake'
 
 name = "Lmod"
-version = "7.4.4"
+version = "7.4.8"
 
 homepage = "http://sourceforge.net/projects/lmod/"
 description = """Lmod is a Lua based module system. Modules allow for dynamic modification

l/Lua/Lua-5.3.4.eb

@@ -13,16 +13,18 @@ description = """Lua is a powerful, fast, lightweight, embeddable scripting lang
 
 toolchain = {'name': 'dummy', 'version': ''}
 
-sources = ['lua-%s.tar.gz' % version.replace('-', '.')]
 source_urls = ['https://www.lua.org/ftp/']
+sources = ['lua-%s.tar.gz' % version.replace('-', '.')]
 
 builddependencies = [
     ('ncurses', '6.0'),
     ('libreadline', '6.3')
 ]
 
-# Use static linking for ncurses so it's not a runtime dep
+skipsteps = ['configure' ]
-#configopts = "--with-static=yes"
+
+buildopts = "posix"
+installopts = "INSTALL_TOP=%(installdir)s"
 
 sanity_check_paths = {
     'files': ["bin/lua"],

m/MIKE/MIKE-2017.eb

@@ -0,0 +1,32 @@
+easyblock = 'ConfigureMake'
+
+name = "MIKE"
+version = '2017'
+
+homepage = 'http://www.mikepoweredbydhi.com'
+description = """
+MIKE Powered by DHI is a part of DHI, the global organisation dedicated to
+solving challenges in water environments worldwide."""
+
+toolchain = {'name': 'dummy', 'version': ''}  # empty version to ensure that dependencies are loaded
+
+skipsteps = ['source', 'patch', 'prepare','configure', 'build', 'test', 'sanitycheck']
+
+sanity_check_paths = {
+    'files': [''],
+    'dirs': ['%(installdir)s/bin']
+}
+
+dependencies = [('intel', '2017.00')]
+
+modextrapaths = {"PATH": 'bin',
+                "LD_LIBRARY_PATH": 'bin',
+                "C_INCLUDE_PATH": 'include',
+                "CPLUS_INCLUDE_PATH": 'include'
+}
+
+modextravars = {'MIKE_HOME': '%(installdir)s',
+                'MIKE_DIR': '%(installdir)s'
+}
+
+moduleclass = 'tools'

q/QuantumESPRESSO/QuantumESPRESSO-5.4.0-foss-2016.04.eb

@@ -0,0 +1,66 @@
+name = 'QuantumESPRESSO'
+version = '5.4.0'
+
+homepage = 'http://www.pwscf.org/'
+description = """Quantum ESPRESSO  is an integrated suite of computer codes
+ for electronic-structure calculations and materials modeling at the nanoscale.
+ It is based on density-functional theory, plane waves, and pseudopotentials
+  (both norm-conserving and ultrasoft)."""
+
+toolchain = {'name': 'foss', 'version': '2016.04'}
+toolchainopts = {'usempi': True}
+
+# major part of this list was determined from espresso/install/plugins_list
+sources = [
+    'espresso-%(version)s.tar.gz',
+    'wannier90-1.2.tar.gz',
+    'atomic-%(version)s.tar.gz',
+    'neb-%(version)s.tar.gz',
+    'PHonon-%(version)s.tar.gz',
+    # must be downloaded manually from
+    # 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
+    # gets updated without changes to filename, cfr. http://qe-forge.org/pipermail/q-e-commits/2015-June/007359.html
+    # 'plumed-1.3-qe-r11758.tar.gz',
+    'pwcond-%(version)s.tar.gz',
+    'tddfpt-%(version)s.tar.gz',
+    'want-2.5.1-base.tar.gz',
+    'yambo-3.4.2.tgz',
+    'xspectra-%(version)s.tar.gz',
+]
+#missing_sources = [
+#    'sax-2.0.3.tar.gz',  # nowhere to be found
+#]
+#source_urls = [
+#    'http://files.qe-forge.org/index.php?file=',  # all sources, except espresso*.tar.gz
+#    'http://qe-forge.org/gf/download/frsrelease/211/968/',  # espresso-5.4.0.tar.gz
+#    'http://qe-forge.org/gf/download/frsrelease/153/618/',  # want-2.5.1-base.tar.gz
+#    'http://qe-forge.org/gf/download/frsrelease/208/932/',  # yambo-3.4.2.tgz
+#]
+
+patches = [
+    'QuantumESPRESSO-%(version)s_yambo-fixes.patch',
+]
+
+# source checksums
+#checksums = [
+#    '8bb78181b39bd084ae5cb7a512c1cfe7',  # espresso-5.4.0.tar.gz
+#    'a1e9611b9a82941c23426028d112186e',  # wannier90-1.2.tar.gz
+#    '24dc0d8bf5cf4eb4dc38e1c18a80b3ee',  # atomic-5.4.0.tar.gz
+#    '254f929259fb06036b78c493cf18e5d6',  # neb-5.4.0.tar.gz
+#    'f641fe9dcf0ec8f1e47d74e3c7c39705',  # PHonon-5.4.0.tar.gz
+    # 'f094031c6d13a0e00022daf4d7c847c7',  # plumed-1.3-qe-r11758.tar.gz
+#    '31c1cd8cd76752833a9205d456093d0a',  # pwcond-5.4.0.tar.gz
+#    '2101533a627644ef467b60d400977eab',  # tddfpt-5.4.0.tar.gz
+#    'ac365daebbe380bf4019235eacf71079',  # want-2.5.1-base.tar.gz
+#    'f0820a0f42dfc81ce3811af647bed777',  # yambo-3.4.2.tgz
+#    '95080929c87389cd15cf765048cfc9d2',  # xspectra-5.4.0.tar.gz
+#]
+
+# gipaw excluded due to: configure: error: Cannot compile against this version of Quantum-Espresso
+# add plumed and uncomment the lines in sources and checksums if the package is downloaded manually
+buildopts = 'all'  # plumed
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'

s/ScientificPython/ScientificPython-2.9.4-intel-2016a-Python-2.7.11.eb

@@ -9,9 +9,9 @@ description = """ScientificPython is a collection of Python modules for scientif
  It contains support for geometry, mathematical functions, statistics, physical units, IO, visualization,
  and parallelization."""
 
-toolchain = {'name': 'foss', 'version': '2016a'}
+toolchain = {'name': 'intel', 'version': '2016a'}
 
-source_urls = ['https://sourcesup.cru.fr/frs/download.php/file/4570']		
+source_urls = ['https://sourcesup.cru.fr/frs/download.php/file/4570']
 sources = [SOURCE_TAR_GZ]
 
 dependencies = [

s/ScientificPython/ScientificPython-2.9.4-intel-2017a-Python-2.7.13.eb

@@ -0,0 +1,31 @@
+easyblock = 'PythonPackage'
+
+name = 'ScientificPython'
+version = '2.9.4'
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = 'https://sourcesup.cru.fr/projects/scientific-py/'
+description = """ScientificPython is a collection of Python modules for scientific computing.
+ It contains support for geometry, mathematical functions, statistics, physical units, IO, visualization,
+ and parallelization."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = ['https://sourcesup.cru.fr/frs/download.php/file/4570']		
+sources = [SOURCE_TAR_GZ]
+
+dependencies = [
+    ('Python', '2.7.13', '', True),
+    # older version of numpy than the one included in Python module required
+    # cfr. https://bitbucket.org/khinsen/scientificpython/issue/13/numpy-19-has-dropped-support-for
+    #('numpy', '1.12.1', versionsuffix),
+]
+
+options = {'modulename': 'Scientific'}
+
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib/python%(pyshortver)s/site-packages/Scientific'],
+}
+
+moduleclass = 'math'