From 9db224585c0f2f900c3fbf5653065c4a741d82f4 Mon Sep 17 00:00:00 2001
From: Josef Hrabal <josef.hrabal@vsb.cz>
Date: Thu, 6 Feb 2020 12:51:09 +0100
Subject: [PATCH] 	new file:   b/BAGEL/BAGEL-1.2.2-intel-2017a.eb 	new
 file:   h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb 	new file:  
 h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb 	new file:  
 s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb 	deleted:   
 b/BAGEL/BAGEL-1.2.2-intel-2020a.eb

---
 ...el-2020a.eb => BAGEL-1.2.2-intel-2017a.eb} | 13 +++++-----
 h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb     | 24 +++++++++++++++++++
 h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb     | 24 +++++++++++++++++++
 s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb           | 20 ++++++++++++++++
 4 files changed, 75 insertions(+), 6 deletions(-)
 rename b/BAGEL/{BAGEL-1.2.2-intel-2020a.eb => BAGEL-1.2.2-intel-2017a.eb} (77%)
 create mode 100644 h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb
 create mode 100644 h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb
 create mode 100644 s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb

diff --git a/b/BAGEL/BAGEL-1.2.2-intel-2020a.eb b/b/BAGEL/BAGEL-1.2.2-intel-2017a.eb
similarity index 77%
rename from b/BAGEL/BAGEL-1.2.2-intel-2020a.eb
rename to b/BAGEL/BAGEL-1.2.2-intel-2017a.eb
index 2313389b..a2d9c6b7 100644
--- a/b/BAGEL/BAGEL-1.2.2-intel-2020a.eb
+++ b/b/BAGEL/BAGEL-1.2.2-intel-2017a.eb
@@ -10,23 +10,24 @@ description = """BAGEL (Brilliantly Advanced General Electronic-structure Librar
 is a parallel electronic-structure program."""
 
 # Note: A compiler bug(?) in template deduction prevents newer versions of icpc to compile this software.
-toolchain = {'name': 'intel', 'version': '2020a'}
+toolchain = {'name': 'intel', 'version': '2017a'}
 
 source_urls = ['https://github.com/nubakery/bagel/archive/']
 sources = ['v%(version)s.tar.gz']
 
 builddependencies = [
-    ('Autotools', '20180311'),
+    ('Autotools', '20180311', '', True),
 ]
 
 dependencies = [
-    ('Boost', '1.72.0'),
-    ('libxc', '4.3.4'),
+    ('Boost', '1.63.0'),
+    ('libxc', '2.2.2'),
 ]
 
 # Hack, because bagel-v1.1.1 uses outdated filenames:
-preconfigopts = 'sed -i "s|-gcc-mt||g" configure.ac && '
-preconfigopts += './autogen.sh && '
+#preconfigopts = 'sed -i "s|-gcc-mt||g" configure.ac && '
+
+preconfigopts = './autogen.sh && '
 preconfigopts += 'CXXFLAGS="$CXXFLAGS -DNDEBUG" '
 configopts = ' --with-boost=$BOOST_ROOT --with-mpi=intel --enable-mkl --with-libxc '
 
diff --git a/h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb b/h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb
new file mode 100644
index 00000000..4aaeeee2
--- /dev/null
+++ b/h/HDF5/HDF5-1.10.6-foss-2017b-parallel.eb
@@ -0,0 +1,24 @@
+# IT4Innovations 2020
+
+name = 'HDF5'
+version = '1.10.6'
+versionsuffix = '-parallel'
+
+homepage = 'http://www.hdfgroup.org/HDF5/'
+description = """HDF5 is a unique technology suite that makes possible the management of
+ extremely large and local_complex data collections."""
+
+toolchain = {'name': 'foss', 'version': '2017b'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = [
+    'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
+sources = [SOURCELOWER_TAR_GZ]
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+    ('Szip', '2.1', '', True),
+#    ('libxml2', '2.9.9', '', True),
+]
+
+moduleclass = 'data'
diff --git a/h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb b/h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb
new file mode 100644
index 00000000..f5ef01ad
--- /dev/null
+++ b/h/HDF5/HDF5-1.10.6-foss-2018a-parallel.eb
@@ -0,0 +1,24 @@
+# IT4Innovations 2019
+
+name = 'HDF5'
+version = '1.10.6'
+versionsuffix = '-parallel'
+
+homepage = 'http://www.hdfgroup.org/HDF5/'
+description = """HDF5 is a unique technology suite that makes possible the management of
+ extremely large and local_complex data collections."""
+
+toolchain = {'name': 'foss', 'version': '2018a'}
+toolchainopts = {'pic': True, 'usempi': True}
+
+source_urls = [
+    'https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
+sources = [SOURCELOWER_TAR_GZ]
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+    ('Szip', '2.1', '', True),
+#    ('libxml2', '2.9.9', '', True),
+]
+
+moduleclass = 'data'
diff --git a/s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb b/s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb
new file mode 100644
index 00000000..e55a8d1e
--- /dev/null
+++ b/s/SCOTCH/SCOTCH-6.0.9-foss-2017b.eb
@@ -0,0 +1,20 @@
+# IT4Innovations 2020
+
+name = 'SCOTCH'
+version = '6.0.9'
+
+homepage = 'http://gforge.inria.fr/projects/scotch/'
+description = """Software package and libraries for sequential and parallel graph partitioning,
+static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning."""
+
+toolchain = {'name': 'foss', 'version': '2017b'}
+toolchainopts = {'pic': True}
+
+source_urls = ['https://gforge.inria.fr/frs/download.php/file/38187/']
+sources = ['%(namelower)s_%(version)s.tar.gz']
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+]
+
+moduleclass = 'math'