From bad2422e1e8b77e3a89fe754c53cccdac43a0353 Mon Sep 17 00:00:00 2001
From: Easy Build <easybuild@login3.smc.salomon.it4i.cz>
Date: Wed, 27 Dec 2017 11:59:51 +0100
Subject: [PATCH] 	new file:   a/ASE/ASE-3.15.0-Python-2.7.13-base.eb 
 new file:   a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb 	modified:  
 g/GMP/GMP-6.1.1-intel-2017.00.eb 	modified:  
 k/Keras/Keras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb 	new file:  
 p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb 	new file:  
 p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb 	modified:  
 p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb

---
 a/ASE/ASE-3.15.0-Python-2.7.13-base.eb        | 31 +++++++++++++++++++
 a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb | 29 +++++++++++++++++
 g/GMP/GMP-6.1.1-intel-2017.00.eb              |  2 +-
 ...ras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb |  6 ++--
 p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb      | 19 ++++++++++++
 p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb        | 23 ++++++++++++++
 p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb             |  6 +++-
 7 files changed, 111 insertions(+), 5 deletions(-)
 create mode 100644 a/ASE/ASE-3.15.0-Python-2.7.13-base.eb
 create mode 100644 a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb
 create mode 100644 p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb
 create mode 100644 p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb

diff --git a/a/ASE/ASE-3.15.0-Python-2.7.13-base.eb b/a/ASE/ASE-3.15.0-Python-2.7.13-base.eb
new file mode 100644
index 00000000..593e029d
--- /dev/null
+++ b/a/ASE/ASE-3.15.0-Python-2.7.13-base.eb
@@ -0,0 +1,31 @@
+# IT4Innovations 2017
+
+easyblock = 'PythonPackage'
+
+name = 'ASE'
+version = '3.15.0'
+versionsuffix = '-Python-%(pyver)s-base'
+
+homepage = 'https://wiki.fysik.dtu.dk/ase/'
+description = """ASE is a python package providing an open source Atomic Simulation Environment
+ in the Python scripting language."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = [PYPI_LOWER_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8']
+
+dependencies = [
+    ('Python', '2.7.13', '-base'),
+    ('numpy', '1.13.0', '-Python-2.7.13-base'),
+    ('scipy', '0.19.1', '-Python-2.7.13-base'),
+    ('matplotlib', '2.0.2', '-Python-2.7.13-base'),
+]
+
+sanity_check_paths = {
+    'files': ['bin/ase-build', 'bin/ase-db', 'bin/ase-gui', 'bin/ase-info', 'bin/ase-run'],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'chem'
diff --git a/a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb b/a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb
new file mode 100644
index 00000000..60781dc6
--- /dev/null
+++ b/a/ASE/ASE-3.15.0-intel-2017a-Python-2.7.13.eb
@@ -0,0 +1,29 @@
+# IT4Innovations 2017
+
+easyblock = 'PythonPackage'
+
+name = 'ASE'
+version = '3.15.0'
+versionsuffix = '-Python-%(pyver)s'
+
+homepage = 'https://wiki.fysik.dtu.dk/ase/'
+description = """ASE is a python package providing an open source Atomic Simulation Environment
+ in the Python scripting language."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = [PYPI_LOWER_SOURCE]
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['5e22d961b1311ef4ba2d83527f7cc7448abac8cf9bddd1593bee548459263fe8']
+
+dependencies = [
+    ('Python', '2.7.13', '-base', True),
+    ('numpy', '1.13.0', '-Python-2.7.13-base', True),
+]
+
+sanity_check_paths = {
+    'files': ['bin/ase-build', 'bin/ase-db', 'bin/ase-gui', 'bin/ase-info', 'bin/ase-run'],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'chem'
diff --git a/g/GMP/GMP-6.1.1-intel-2017.00.eb b/g/GMP/GMP-6.1.1-intel-2017.00.eb
index 4ddda7ca..7299ad53 100644
--- a/g/GMP/GMP-6.1.1-intel-2017.00.eb
+++ b/g/GMP/GMP-6.1.1-intel-2017.00.eb
@@ -4,7 +4,7 @@ name = 'GMP'
 version = '6.1.1'
 
 homepage = 'http://gmplib.org/'
-description = """GMP is a free library for arbitrary precision arithmetic, 
+description = """GMP is a free library for arbitrary precision arithmetic,
 operating on signed integers, rational numbers, and floating point numbers. """
 
 toolchain = {'name': 'intel', 'version': '2017.00'}
diff --git a/k/Keras/Keras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb b/k/Keras/Keras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb
index e36a0340..a395485b 100644
--- a/k/Keras/Keras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb
+++ b/k/Keras/Keras-2.1.2-Tensorflow-1.2.0-Python-3.6.1.eb
@@ -1,7 +1,7 @@
 easyblock = 'PythonPackage'
 
 name = 'Keras'
-version = '2.0.5'
+version = '2.1.2'
 versionsuffix = '-Tensorflow-1.2.0-Python-%(pyver)s'
 
 homepage = 'https://keras.io/'
@@ -10,8 +10,8 @@ capable of running on top of either TensorFlow or Theano."""
 
 toolchain = {'name': 'dummy', 'version': ''}
 
-source_urls = [PYPI_SOURCE]
-sources = [SOURCE_TAR_GZ]
+source_urls = ['https://github.com/keras-team/keras/archive']
+sources = ['%(version)s.tar.gz']
 
 use_pip = True
 
diff --git a/p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb b/p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb
new file mode 100644
index 00000000..6b5d3946
--- /dev/null
+++ b/p/p4vasp/p4vasp-0.3.30-GNU-4.9.3-2.25.eb
@@ -0,0 +1,19 @@
+name = 'p4vasp'
+version = '0.3.30'
+
+homepage = 'http://www.p4vasp.at'
+description = """p4vasp is a visualization suite for the Vienna Ab-initio Simulation Package
+ (VASP). It contains an extensible GUI framework, that can be used to view
+ material structure, density of states, band-structure and more.
+"""
+
+toolchain = {'name': 'GNU', 'version': '4.9.3-2.25'}
+
+source_urls = [
+    'http://www.p4vasp.at/index.php/downloads/viewdownload/2-source-code'
+]
+sources = [SOURCELOWER_TGZ]
+
+skipsteps = ['install', 'sanitycheck']
+
+moduleclass = 'vis'
diff --git a/p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb b/p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb
new file mode 100644
index 00000000..62305830
--- /dev/null
+++ b/p/p4vasp/p4vasp-GNU-4.9.3-2.25-test.eb
@@ -0,0 +1,23 @@
+name = 'p4vasp'
+version = '0.3.29'
+
+homepage = 'http://www.p4vasp.at'
+description = """p4vasp is a visualization suite for the Vienna Ab-initio Simulation Package
+ (VASP). It contains an extensible GUI framework, that can be used to view
+ material structure, density of states, band-structure and more.
+"""
+
+toolchain = {'name': '' , 'version': ''}
+
+source_urls = [
+    'http://www.p4vasp.at/index.php/downloads/viewdownload/2-source-code'
+]
+sources = [SOURCELOWER_TGZ]
+
+dependencies = [
+    ('Python', '2.7.13'),
+]
+
+skipsteps = ['install', 'sanitycheck']
+
+moduleclass = 'vis'
diff --git a/p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb b/p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb
index f38f3eda..fde436ca 100644
--- a/p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb
+++ b/p/p4vasp/p4vasp-GNU-4.9.3-2.25.eb
@@ -7,13 +7,17 @@ description = """p4vasp is a visualization suite for the Vienna Ab-initio Simula
  material structure, density of states, band-structure and more.
 """
 
-toolchain = {'name': 'GNU', 'version': '4.9.3-2.25'}
+toolchain = {'name': '', 'version': ''}
 
 source_urls = [
     'http://www.p4vasp.at/index.php/downloads/viewdownload/2-source-code'
 ]
 sources = [SOURCELOWER_TGZ]
 
+dependency = [
+   ('Python', '2.7.13'),
+]
+
 skipsteps = ['install', 'sanitycheck']
 
 moduleclass = 'vis'