Anselm ... GNU/6.3.0/2.27

c/CGAL/CGAL-4.8.1-intel-2017a.eb

+name = 'CGAL'
+version = '4.8.1'
+
+homepage = 'http://www.cgal.org/'
+description = """The goal of the CGAL Open Source Project is to provide easy access to efficient
+ and reliable geometric algorithms in the form of a C++ library."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+toolchainopts = {'strict': True}
+
+source_urls = ['https://github.com/CGAL/cgal/releases/download/releases%2FCGAL-%(version)s']
+sources = [SOURCE_TAR_XZ]
+
+dependencies = [
+    ('zlib', '1.2.11', '', True),
+    ('Boost', '1.63.0'),
+    ('MPFR', '3.1.4'),
+    ('GMP', '6.1.1'),
+    ('libGLU', '9.0.0'),
+    ('Qt5', '5.7.0'),
+]
+
+builddependencies = [
+    ('CMake', '3.7.2', '', True),
+    ('Eigen', '3.2.9', '', True),
+]
+
+configopts = "-DOPENGL_INCLUDE_DIR=$EBROOTMESA/include\;$EBROOTLIBGLU/include "
+configopts += "-DOPENGL_gl_LIBRARY=$EBROOTMESA/lib/libGL.%s " % SHLIB_EXT
+configopts += "-DOPENGL_glu_LIBRARY=$EBROOTLIBGLU/lib/libGLU.%s " % SHLIB_EXT
+configopts += "-DWITH_ZLIB=ON -DWITH_MPFR=ON -DWITH_OpenGL=ON -DWITH_Eigen3=ON "
+configopts += "-DWITH_GMPXX=ON -DWITH_LAPACK=ON -DWITH_BLAS=ON "
+
+moduleclass = 'numlib'

c/CORALbenchmark/CORALbenchmark-1.00-foss-2016a.eb

+easyblock = 'Toolchain'
+
+name = 'CORALbenchmark'
+version = '1.00'
+
+homepage = 'https://asc.llnl.gov/CORAL-benchmarks'
+description = 'Benchmark Codes'
+
+toolchain = {'name': 'foss', 'version': '2016a'}
+
+dependencies = [
+    ('QBOX', 'r140b'),
+    ('LSMS', '3_rev237'),
+]
+
+moduleclass = 'tools'

c/cURL/cURL-7.53.1.eb

+easyblock = 'ConfigureMake'
+
+name = 'cURL'
+version = '7.53.1'
+
+homepage = 'http://curl.haxx.se'
+description = 'libcurl is a free and easy-to-use client-side URL transfer library'
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = ['http://curl.haxx.se/download/']
+
+osdependencies = [('openssl-devel', 'libssl-dev', 'libopenssl-devel')]
+
+sanity_check_paths = {
+    'files': ['bin/curl', 'lib/libcurl.a', 'lib/libcurl.%s' % SHLIB_EXT],
+    'dirs': ['lib/pkgconfig'],
+}
+
+moduleclass = 'tools'

e/EasyBuild/EasyBuild-3.1.1-test.eb

+easyblock = 'EB_EasyBuildMeta'
+
+name = 'EasyBuild'
+version = '3.1.1'
+versionsuffix = 'test-python'
+
+homepage = 'http://hpcugent.github.com/easybuild/'
+description = """EasyBuild is a software build and installation framework
+ written in Python that allows you to install software in a structured,
+ repeatable and robust way."""
+
+toolchain = {'name': 'dummy', 'version': 'dummy'}
+
+source_urls = [
+    # vsc-install
+    'https://pypi.python.org/packages/ef/c7/640c6d791ba452321c0d1371b6626486bb495e0645bb896d33c78a09f810',
+    # vsc-base
+    'https://pypi.python.org/packages/da/90/ee40b1a6a5bfed24139042c737500a9b45db0373a6735e76481fc860fe37',
+    # easybuild-framework
+    'https://pypi.python.org/packages/f2/19/1c79b1ad24f0004e9507f12d4222367611f42ac479abd6315a50a23c52f5',
+    # easybuild-easyblocks
+    'https://pypi.python.org/packages/87/aa/2a19f05c78dd2550f7bd42ef0964b9c51c5626c1e715c2ee0a4f778780b8',
+    # easybuild-easyconfigs
+    'https://pypi.python.org/packages/e6/68/5e977f549bf04b8cd87cdc5179d8b36c1eb971cfe3c43f98053f2dbe9c64',
+]
+# order matters a lot, to avoid having dependencies auto-resolved (--no-deps easy_install option doesn't work?)
+sources = [
+    'vsc-install-0.10.25.tar.gz',
+    'vsc-base-2.5.7.tar.gz',
+    'easybuild-framework-%(version)s.tar.gz',
+    'easybuild-easyblocks-%(version)s.tar.gz',
+    'easybuild-easyconfigs-%(version)s.tar.gz',
+]
+
+# EasyBuild is a (set of) Python packages, so it depends on Python
+# usually, we want to use the system Python, so no actual Python dependency is listed
+allow_system_deps = [('Python', SYS_PYTHON_VERSION)]
+
+moduleclass = 'tools'

e/EasyBuild/EasyBuild-3.1.1-test2.eb

+easyblock = 'EB_EasyBuildMeta'
+
+name = 'EasyBuild'
+version = '3.1.1'
+versionsuffix = '-test-python2'
+
+homepage = 'http://hpcugent.github.com/easybuild/'
+description = """EasyBuild is a software build and installation framework
+ written in Python that allows you to install software in a structured,
+ repeatable and robust way."""
+
+toolchain = {'name': 'dummy', 'version': 'dummy'}
+
+source_urls = [
+    # vsc-install
+    'https://pypi.python.org/packages/ef/c7/640c6d791ba452321c0d1371b6626486bb495e0645bb896d33c78a09f810',
+    # vsc-base
+    'https://pypi.python.org/packages/da/90/ee40b1a6a5bfed24139042c737500a9b45db0373a6735e76481fc860fe37',
+    # easybuild-framework
+    'https://pypi.python.org/packages/f2/19/1c79b1ad24f0004e9507f12d4222367611f42ac479abd6315a50a23c52f5',
+    # easybuild-easyblocks
+    'https://pypi.python.org/packages/87/aa/2a19f05c78dd2550f7bd42ef0964b9c51c5626c1e715c2ee0a4f778780b8',
+    # easybuild-easyconfigs
+    'https://pypi.python.org/packages/e6/68/5e977f549bf04b8cd87cdc5179d8b36c1eb971cfe3c43f98053f2dbe9c64',
+]
+# order matters a lot, to avoid having dependencies auto-resolved (--no-deps easy_install option doesn't work?)
+sources = [
+    'vsc-install-0.10.25.tar.gz',
+    'vsc-base-2.5.7.tar.gz',
+    'easybuild-framework-%(version)s.tar.gz',
+    'easybuild-easyblocks-%(version)s.tar.gz',
+    'easybuild-easyconfigs-%(version)s.tar.gz',
+]
+
+# EasyBuild is a (set of) Python packages, so it depends on Python
+# usually, we want to use the system Python, so no actual Python dependency is listed
+allow_system_deps = [('Python', SYS_PYTHON_VERSION)]
+
+moduleclass = 'tools'

e/Eigen/Eigen-3.2.9.eb

+name = 'Eigen'
+version = '3.2.9'
+
+homepage = 'http://eigen.tuxfamily.org/index.php?title=Main_Page'
+description = """Eigen is a C++ template library for linear algebra:
+ matrices, vectors, numerical solvers, and related algorithms."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = ['http://bitbucket.org/%(namelower)s/%(namelower)s/get']
+sources = ['%(version)s.tar.bz2']
+
+moduleclass = 'math'

g/GEOS/GEOS-3.5.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'GEOS'
+version = '3.5.0'
+
+homepage = 'http://trac.osgeo.org/geos'
+description = """GEOS (Geometry Engine - Open Source) is a C++ port of the  Java Topology Suite (JTS)"""
+
+source_urls = [ 'http://download.osgeo.org/geos/' ]
+sources = [SOURCELOWER_TAR_BZ2]
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+moduleclass = 'math'

g/GNU/GNU-6.3.0-2.27.eb

+easyblock = 'Toolchain'
+
+name = 'GNU'
+gccver = '6.3.0'
+binutilsver = '2.27'
+version = '%s-%s' % (gccver, binutilsver)
+
+homepage = 'http://www.gnu.org/software/'
+description = "Compiler-only toolchain with GCC and binutils."
+
+toolchain = {'name': 'dummy', 'version': 'dummy'}
+
+dependencies = [
+    # GCC built on top of (dummy-built) binutils
+    ('GCC', gccver, '-%s' % binutilsver),
+    # binutils built on top of GCC, which was built on top of (dummy-built) binutils
+    ('binutils', binutilsver, '', ('GCCcore', '%s' % gccver)),
+]
+
+moduleclass = 'toolchain'

g/GROMACS/GROMACS-5.1.4-foss-2016a-hybrid-single-PLUMED.eb

@@ -12,7 +12,7 @@ toolchainopts = {'openmp': True, 'usempi': True}
 source_urls = ['ftp://ftp.gromacs.org/pub/gromacs/']
 sources = [SOURCELOWER_TAR_GZ]
 
-preconfigopts = 'plumed patch -p -e gromacs-5.1.4 --shared &&'
+preconfigopts = 'plumed patch -p -e gromacs-5.1.4 &&'
 
 configopts = ' -DGMX_GPU=OFF  -DBUILD_SHARED_LIBS=OFF  -DGMX_PREFER_STATIC_LIBS=ON -DGMX_DOUBLE=OFF  -DGMX_SIMD=AVX2_256  -DGMX_BUILD_OWN_FFTW=ON  -DGMX_MPI=ON'
 

g/git/git-2.12.0.eb

+easyblock = 'ConfigureMake'
+
+name = 'git'
+version = '2.12.0'
+
+homepage = 'http://git-scm.com/'
+description = """Git is a free and open source distributed version control system designed
+to handle everything from small to very large projects with speed and efficiency."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+source_urls = ['https://www.kernel.org/pub/software/scm/git/']
+sources = ['%(name)s-%(version)s.tar.gz']
+
+builddependencies = [
+    ('Autoconf', '2.69')
+]
+
+dependencies = [
+    ('cURL', '7.53.1'),
+    ('expat', '2.1.0'),
+    ('gettext','0.19.8'),
+    ('Perl', '5.20.2', '-bare'),
+]
+
+preconfigopts = 'make configure && '
+
+# Work around git build system bug.  If LIBS contains -lpthread, then configure
+# will not append -lpthread to LDFLAGS, but Makefile ignores LIBS.
+configopts = "--with-perl=${EBROOTPERL}/bin/perl --enable-pthreads='-lpthread'"
+
+sanity_check_paths = {
+    'files': ['bin/git'],
+    'dirs': [],
+}
+
+moduleclass = 'tools'

l/LSMS/LSMS-3_rev237-foss-2015g.eb

+easyblock = 'MakeCp'
+
+name = 'LSMS'
+version = '3_rev237'
+
+homepage = 'https://asc.llnl.gov/CORAL-benchmarks/#lsms'
+description = "LSMS benchmark, part of CORAL suite"
+
+toolchain = {'name': 'foss', 'version': '2015g' }
+
+source_urls = ['https://asc.llnl.gov/CORAL-benchmarks/Science/']
+sources = ['%(name)s_%(version)s.tar.bz2']
+
+checksums = ['8c864c9223b93488663815557e61cd0b']
+
+patches = ['LSMS-Makefiles.patch']
+
+#files_to_copy = ['bin/lsms', 'bin/wl-lsms']
+files_to_copy = ['bin']
+
+buildopts = '-j 1'
+
+dependencies = [ 
+    ('HDF5', '1.8.16'), 
+]
+
+sanity_check_paths = {
+    'files': ['bin/lsms', 'bin/wl-lsms'],
+    'dirs': [],
+}
+                                                                                                                                                   
+moduleclass = 'tools'

l/LSMS/LSMS-3_rev237-foss-2016a.eb

+easyblock = 'MakeCp'
+
+name = 'LSMS'
+version = '3_rev237'
+
+homepage = 'https://asc.llnl.gov/CORAL-benchmarks/#lsms'
+description = "LSMS benchmark, part of CORAL suite"
+
+toolchain = {'name': 'foss', 'version': '2016a' }
+
+source_urls = ['https://asc.llnl.gov/CORAL-benchmarks/Science/']
+sources = ['%(name)s_%(version)s.tar.bz2']
+
+checksums = ['8c864c9223b93488663815557e61cd0b']
+
+patches = ['LSMS-Makefiles.patch']
+
+files_to_copy = ['bin']
+
+buildopts = '-j 1'
+
+dependencies = [ 
+    ('HDF5', '1.8.16'), 
+]
+
+sanity_check_paths = {
+    'files': ['bin/lsms', 'bin/wl-lsms'],
+    'dirs': [],
+}
+                                                                                                                                                   
+moduleclass = 'tools'

l/LSMS/LSMS-Makefiles.patch

+--- LSMS_3_rev237/CBLAS/Makefile	2012-02-09 20:17:00.000000000 +0100
++++ LSMS_3_rev237_working/CBLAS/Makefile	2017-03-09 15:44:39.524649760 +0100
+@@ -1,6 +1,29 @@
+ dlvl = ./.
+ include $(dlvl)/Makefile.in
+-include ../architecture.h
++
++# export USE_GPTL=1
++export USE_OPENMP=1
++
++export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
++
++export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
++
++export ADDITIONAL_TARGETS = CBLAS_target
++
++export BOOST_ROOT=$(TOP_DIR)
++
++
++ifdef USE_OPENMP
++  export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
++  #export F77=ftn  -fopenmp
++  export F77 += -fopenmp
++else
++  export CXX += -std=c++11 -I$(BOOST_ROOT)
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
++  #export F77=ftn 
++endif
++export LUACXX = $(CXX)
+ 
+ all: alllib alltst 
+ 
+--- LSMS_3_rev237/src/Test/buildKKRMatrixTest/Makefile	2012-02-15 19:41:17.000000000 +0100
++++ LSMS_3_rev237_working/src/Test/buildKKRMatrixTest/Makefile	2017-03-09 15:47:04.088863802 +0100
+@@ -3,7 +3,29 @@
+ export INC_PATH =
+ export LIBS :=
+ 
+-include $(TOP_DIR)/architecture.h
++# export USE_GPTL=1
++export USE_OPENMP=1
++
++export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
++
++export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
++
++export ADDITIONAL_TARGETS = CBLAS_target
++
++export BOOST_ROOT=$(TOP_DIR)
++
++
++ifdef USE_OPENMP
++  export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
++  #export F77=ftn  -fopenmp
++  export F77 += -fopenmp
++else
++  export CXX += -std=c++11 -I$(BOOST_ROOT)
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
++  #export F77=ftn 
++endif
++export LUACXX = $(CXX)
+ 
+ export INC_PATH += -I $(TOP_DIR)/include -I $(TOP_DIR)/src
+ export MISC = $(TOP_DIR)/src/Misc
+--- LSMS_3_rev237/Makefile	2017-03-09 15:47:50.699882415 +0100
++++ LSMS_3_rev237_working/Makefile	2017-03-09 14:58:44.845436772 +0100
+@@ -1,10 +1,35 @@
+ 
+ export TOP_DIR = $(shell pwd)
+-export INC_PATH =
+ # export LIBS := -L$(TOP_DIR)/lua/lib -llua $(TOP_DIR)/mjson/mjson.a
+ export LIBS := $(TOP_DIR)/lua/lib/liblua.a $(TOP_DIR)/mjson/mjson.a
+ 
+-include architecture.h 
++export CC = gcc
++export CXX = g++
++export F77 = gfortran
++
++# export USE_GPTL=1
++export USE_OPENMP=1
++
++export ADD_LIBS += -L$(TOP_DIR)/lua/lib -L$(TOP_DIR)/CBLAS/lib/ -lcblas_LINUX -lmpi -lmpi_cxx -lhdf5 -lgfortran -lopenblas $(FPMPI_POST_LINK_OPTS)
++
++export INC_PATH += -I $(TOP_DIR)/CBLAS/include -I $(TOP_DIR)/lua/include
++
++export ADDITIONAL_TARGETS = CBLAS_target
++
++export BOOST_ROOT=$(TOP_DIR)
++
++
++ifdef USE_OPENMP
++  export CXX += -g -std=c++11 -I$(BOOST_ROOT) -fopenmp
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI -fopenmp
++  #export F77=ftn  -fopenmp
++  export F77 += -fopenmp
++else
++  export CXX += -std=c++11 -I$(BOOST_ROOT)
++  #export CXX=CC -I$(BOOST_ROOT) -DUSE_PAPI
++  #export F77=ftn 
++endif
++export LUACXX = $(CXX)
+ 
+ 
+ all: liblua $(ADDITIONAL_TARGETS) libmjson LSMS

l/Lmod/Lmod-7.3.28.eb

+easyblock = 'ConfigureMake'
+
+name = "Lmod"
+version = "7.3.28"
+
+homepage = "http://sourceforge.net/projects/lmod/"
+description = """Lmod is a Lua based module system. Modules allow for dynamic modification
+ of a user's environment under Unix systems. See www.tacc.utexas.edu/tacc-projects/lmod
+ for a complete description. Lmod is a new implementation that easily handles the MODULEPATH
+ Hierarchical problem. It is drop-in replacement for TCL/C modules and reads TCL modulefiles directly."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = ['%(version)s.tar.gz']
+source_urls = [
+    'https://github.com/TACC/Lmod/archive',
+    'http://sourceforge.net/projects/lmod/files/',
+    'http://sourceforge.net/projects/lmod/files/Testing'
+]
+
+dependencies = [("Lua", "5.1.4-8")]
+
+sanity_check_paths = {
+    'files': ["lmod/%(version)s/libexec/lmod", "lmod/%(version)s/init/profile"],
+    'dirs': []
+}
+
+moduleclass = "tools"

l/libGLU/libGLU-9.0.0-intel-2017a.eb

+easyblock = 'ConfigureMake'
+
+name = 'libGLU'
+version = '9.0.0'
+
+homepage = 'ftp://ftp.freedesktop.org/pub/mesa/glu/'
+description = """The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. """
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+toolchainopts = {'pic': True}
+
+source_urls = ['ftp://ftp.freedesktop.org/pub/mesa/glu/']
+sources = ['glu-%(version)s.tar.bz2']
+
+dependencies = [
+    ('Mesa', '11.1.2'),
+]
+
+sanity_check_paths = {
+    'files': ['lib/libGLU.so.1'],
+    'dirs': [],
+}
+
+moduleclass = 'vis'

m/METIS/METIS-5.1.0.eb

+name = 'METIS'
+version = '5.1.0'
+
+homepage = 'http://glaros.dtc.umn.edu/gkhome/metis/metis/overview'
+description = """METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes,
+ and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the
+ multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+toolchainopts = {'optarch': True, 'pic': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = [
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis',
+    'http://glaros.dtc.umn.edu/gkhome/fetch/sw/metis/OLD',
+]
+
+builddependencies = [
+    ('CMake', '3.7.2')
+]
+
+configopts = ['', 'shared=1']
+
+moduleclass = 'math'

m/MPFR/MPFR-3.1.4-intel-2017a.eb

+easyblock = 'ConfigureMake'
+
+name = 'MPFR'
+version = '3.1.4'
+
+homepage = 'http://www.mpfr.org'
+description = """The MPFR library is a C library for multiple-precision 
+ floating-point computations with correct rounding."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+
+source_urls = ['http://www.mpfr.org/mpfr-%(version)s/']
+sources = [SOURCELOWER_TAR_BZ2]
+
+patches = ['MPFR_ictce_remove-deprecated-mp.patch']
+
+dependencies = [
+    ('GMP', '6.1.1', '' , True)
+]
+
+runtest = 'check'
+
+sanity_check_paths = {
+    'files': ['lib/libmpfr.%s' % SHLIB_EXT, 'include/mpfr.h'],
+    'dirs': []
+}
+
+moduleclass = 'math'

m/Mesa/Mesa-11.1.2-intel-2017a.eb

+easyblock = 'ConfigureMake'
+
+name = 'Mesa'
+version = '11.1.2'
+
+homepage = 'http://www.mesa3d.org/'
+description = """Mesa is an open-source implementation of the OpenGL specification -
+ a system for rendering interactive 3D graphics."""
+
+toolchain = {'name': 'intel', 'version': '2017a'}
+toolchainopts = {'optarch': True}
+
+sources = [SOURCELOWER_TAR_GZ]
+source_urls = [
+    'ftp://ftp.freedesktop.org/pub/mesa/%(version)s',
+    'ftp://ftp.freedesktop.org/pub/mesa/older-versions/%(version_major)s.x/%(version)s',
+]
+
+builddependencies = [
+    ('flex', '2.6.0'),
+    ('Bison', '3.0.4'),
+    ('Autotools', '20150215'),
+    ('pkg-config', '0.29'),
+    ('glproto', '1.4.17'),
+    ('kbproto', '1.0.7'),
+    ('libpthread-stubs', '0.3'),
+    ('xextproto', '7.3.0'),
+    ('xproto', '7.0.28'),
+    ('makedepend', '1.0.5'),
+]
+
+dependencies = [
+    ('libxml2', '2.9.3'),
+    ('libdrm', '2.4.67'),
+    ('libX11', '1.6.3',),
+    ('libXext', '1.3.3'),
+    ('libXfixes', '5.0.1'),
+    ('libXdamage', '1.1.4'),
+    ('libXfont', '1.5.1'),
+    ('LLVM', '3.7.1'),
+    ('eudev', '3.1.5'),
+]
+
+# Use the os provided libudev or the EB provided eudev
+#osdependencies = ['libudev']
+
+# GLU is not part anymore of Mesa package!
+configopts = " --disable-osmesa --enable-gallium-osmesa --enable-gallium-llvm --enable-glx --disable-dri"
+configopts += " --enable-xlib-glx --disable-driglx-direct --with-gallium-drivers='swrast' --disable-egl"
+configopts += " --with-osmesa-bits=32 --enable-texture-float "
+
+# package-config files for os dependencies are in an os specific place
+#preconfigopts = 'libtoolize && PKG_CONFIG_PATH="$PKG_CONFIG_PATH:/usr/lib64/pkgconfig/:/usr/share/pkgconfig" '
+preconfigopts = ' libtoolize &&  '
+
+prebuildopts = 'env CPATH="$EBROOTLIBDRM/include/libdrm:$CPATH" '
+
+sanity_check_paths = {
+    'files': ['lib/libGL.%s' % SHLIB_EXT, 'lib/libOSMesa.%s' % SHLIB_EXT, 'lib/libGLESv1_CM.%s' % SHLIB_EXT,
+              'lib/libGLESv2.%s' %SHLIB_EXT, 'include/GL/glext.h', 'include/GL/gl_mangle.h', 'include/GL/glx.h',
+              'include/GL/osmesa.h', 'include/GL/wglext.h', 'include/GL/gl.h', 'include/GL/glxext.h',
+              'include/GL/glx_mangle.h', 'include/GLES/gl.h', 'include/GLES2/gl2.h', 'include/GLES3/gl3.h'],
+    'dirs': []
+}
+
+maxparallel = 1
+
+moduleclass = 'vis'

o/ORCA/ORCA-4_0_0-linux_x86-64.eb

+easyblock = "PackedBinary"
+
+name = "ORCA"
+version = '4_0_0-linux_x86-64'
+
+homepage = 'http://cec.mpg.de/forum/'
+description = """ORCA is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry
+ with specific emphasis on spectroscopic properties of open-shell molecules.
+  It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single-
+ and multireference correlated ab initio methods.
+ It can also treat environmental and relativistic effects."""
+
+toolchain = {'name': 'dummy', 'version': ''}
+
+sources = ['%%(namelower)s_%s_%s.tbz' % (version.split('-')[0], '-'.join(version.split('-')[1:]))]
+
+# ORCA 4.0.0 is compiled only against OpenMPI 2.0.2 for Linux
+dependencies = [
+    ('OpenMPI', '2.0.2', '-GCC-6.3.0-2.27')
+]
+
+sanity_check_paths = {
+    'files': ['orca_%s%s' % (x, y) for x in ['anoint', 'casscf', 'cis', 'cleanup', 'cpscf',
+                                             'eprnmr', 'gtoint', 'mdci', 'mp2', 'mrci', 'pc',
+                                             'rocis', 'scf', 'scfgrad', 'soc']
+              for y in ["", "_mpi"]] +
+    ['orca_%s' % x for x in ['2mkl', 'asa', 'chelpg', 'ciprep', 'eca', 'ecplib',
+                             'euler', 'fci', 'fitpes', 'gstep', 'loc', 'mapspc',
+                                      'md', 'mergefrag', 'ndoint', 'numfreq', 'plot',
+                                      'pltvib', 'pop', 'rel', 'vib', 'vpot']],