Merge branch 'easyconfigs-it4i-salomon'

README.md

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+# Repozitář pro easyconfigy lišící se od upstreamu
+
+## Branch master
+
+[here](https://code.it4i.cz/kru0052/easyconfigs-it4i/tree/master)
+
+## Branch easyconfigs-it4i-salomon
+
+[here](https://code.it4i.cz/kru0052/easyconfigs-it4i/tree/easyconfigs-it4i-salomon)
+
+## Branch easyconfigs-it4i-anselm
+
+[here](https://code.it4i.cz/kru0052/easyconfigs-it4i/tree/easyconfigs-it4i-anselm)

q/QuantumESPRESSO/QuantumESPRESSO-6.1-intel-2017a.eb

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+name = 'QuantumESPRESSO'
+version = '6.1'
+
+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': 'intel', 'version': '2017a'}
+toolchainopts = {'usempi': True}
+
+# major part of this list was determined from espresso/install/plugins_list
+sources = [
+    'qe-%(version)s.tar.gz',
+    'wannier90-2.1.0.tar.gz',
+    'qe-gipaw-6.1.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',
+    'want-2.5.1-base.tar.gz',
+    'West-2.0.1.tar.gz',
+    'yambo-3.4.2.tgz',
+]
+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://www.wannier.org/code/',  # wannier90-2.1.0.tar.gz
+    'http://qe-forge.org/gf/download/frsrelease/240/1075/',  # qe-6.1.tar.gz
+    'http://qe-forge.org/gf/download/frsrelease/153/618/',  # want-2.5.1-base.tar.gz
+    'http://www.west-code.org/downloads/',  # West-2.0.1.tar.gz
+    'http://qe-forge.org/gf/download/frsrelease/208/932/',  # yambo-3.4.2.tgz
+]
+
+patches = [
+    'QuantumESPRESSO-5.4.0_yambo-fixes.patch',
+]
+
+# source checksums
+checksums = [
+    'db398edcad76e085f8c8a3f6ecb7aaab',  # qe-6.1.tar.gz
+    '07a81c002b41d6d0f97857e55c57d769',  # wannier90-2.1.0.tar.gz
+    '178055353e59eb4dd8bebe27331f2927',  # qe-gipaw-6.1.tar.gz
+    # 'f094031c6d13a0e00022daf4d7c847c7',  # plumed-1.3-qe-r11758.tar.gz
+    'ac365daebbe380bf4019235eacf71079',  # want-2.5.1-base.tar.gz
+    '000abe6a5dccd1e722d1767c3dcd3996',  # West-2.0.1.tar.gz
+    'f0820a0f42dfc81ce3811af647bed777',  # yambo-3.4.2.tgz
+]
+
+# add plumed and uncomment the lines in sources and checksums if the package is downloaded manually
+buildopts = 'all w90 epw gipaw want west yambo xspectra'  # plumed
+
+# parallel build tends to fail
+parallel = 1
+
+moduleclass = 'chem'