diff --git a/packages/hxtorch/package.py b/packages/hxtorch/package.py
new file mode 100644
index 0000000000000000000000000000000000000000..dc584e262ee3dbc0a005992a299fbb566936dcdb
--- /dev/null
+++ b/packages/hxtorch/package.py
@@ -0,0 +1,135 @@
+# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+from spack import *
+
+
+class Hxtorch(WafPackage):
+ """hxtorch --- a PyTorch-based toplevel for the BrainScaleS-2 neuromorphic hardware systems"""
+
+ homepage = "https://github.com/electronicvisions/hxtorch"
+ # This repo provides a waf binary used for the build below
+ git = "https://github.com/electronicvisions/pynn-brainscales.git"
+
+ version('2.0-rc6', branch='waf')
+
+ # PPU compiler dependencies
+ depends_on('oppulance@2.0:')
+
+ # host software dependencies
+ depends_on('bitsery', type=('build', 'link', 'run'))
+ depends_on('binutils+gold+ld+plugins', type=('build', 'link', 'run')) # specialize
+ depends_on('boost@1.69.0: +graph+icu+mpi+python+numpy+coroutine+context cxxstd=17', type=('build', 'link', 'run')) # specialize boost (non-clingo, type=('build', 'link', 'run'))
+ depends_on('cereal', type=('build', 'link', 'run'))
+ depends_on('cppcheck', type=('build', 'link', 'run'))
+ depends_on('doxygen+graphviz', type=('build', 'link', 'run'))
+ depends_on('genpybind@ebrains', type=('build', 'link', 'run'))
+ depends_on('gflags', type=('build', 'link', 'run'))
+ depends_on('googletest@1.11.0: +gmock', type=('build', 'link', 'run')) # variadic templates needed
+ depends_on('intel-tbb', type=('build', 'link', 'run')) # ppu gdbserver
+ depends_on('libelf', type=('build', 'link', 'run'))
+ depends_on('liblockfile', type=('build', 'link', 'run'))
+ depends_on('llvm', type=('build', 'link', 'run'))
+ depends_on('log4cxx', type=('build', 'link', 'run'))
+ depends_on('pkg-config', type=('build', 'link', 'run'))
+ depends_on('python@3.7.0:', type=('build', 'link', 'run')) # BrainScaleS(-2, type=('build', 'link', 'run')) only supports Python >= 3.7
+ depends_on('py-h5py', type=('build', 'link', 'run')) # PyNN tests need it
+ depends_on('py-matplotlib', type=('build', 'link', 'run'))
+ depends_on('py-nose', type=('build', 'link', 'run'))
+ depends_on('py-numpy', type=('build', 'link', 'run'))
+ depends_on('py-pybind11', type=('build', 'link', 'run'))
+ depends_on('py-pybind11-stubgen', type=('build', 'link', 'run'))
+ depends_on('py-pycodestyle', type=('build', 'link', 'run'))
+ depends_on('py-pyelftools', type=('build', 'link', 'run'))
+ depends_on('py-pylint', type=('build', 'link', 'run'))
+ depends_on('py-torch', type=('build', 'link', 'run'))
+ depends_on('py-pyyaml', type=('build', 'link', 'run'))
+ depends_on('py-scipy', type=('build', 'link', 'run'))
+ depends_on('py-sqlalchemy', type=('build', 'link', 'run'))
+ depends_on('util-linux', type=('build', 'link', 'run'))
+ depends_on('yaml-cpp+shared', type=('build', 'link', 'run'))
+ extends('python')
+
+ def setup_build_environment(self, env):
+ """waf needs to find headers and libraries by itself (mostly `boost`
+ tool, but also `gtest`); it also needs to run executables during
+ configuration."""
+
+ include = []
+ for dep in self.spec.traverse(deptype='build'):
+ query = self.spec[dep.name]
+ try:
+ include.extend(query.headers.directories)
+ print('headers:', query.headers.directories, "\n")
+ except:
+ pass
+
+ library = []
+ for dep in self.spec.traverse(deptype=('link', 'run')):
+ query = self.spec[dep.name]
+ try:
+ library.extend(query.libs.directories)
+ print('libs:', query.libs.directories, "\n")
+ except:
+ pass
+
+ path = []
+ for dep in self.spec.traverse(deptype=('build', 'link', 'run')):
+ query = self.spec[dep.name]
+ try:
+ path.append(query.prefix.bin)
+ print('bin:', query.prefix.bin, "\n")
+ except:
+ pass
+
+ # llvm might be built with ~shared_libs but still builds shared libs
+ if not any('llvm' in lib for lib in library):
+ library.append(self.spec['llvm'].prefix.lib)
+
+ env.set('CPATH', ':'.join(include))
+ env.set('C_INCLUDE_PATH', ':'.join(include))
+ env.set('CPLUS_INCLUDE_PATH', ':'.join(include))
+ env.set('LIBRARY_PATH', ':'.join(library))
+ env.set('LD_LIBRARY_PATH', ':'.join(library))
+ env.prepend_path('PATH', ':'.join(path))
+
+ def setup_run_environment(self, env):
+ env.prepend_path('PYTHONPATH', self.prefix.lib)
+
+ # override configure step as we perform a project setup first
+ def configure(self, spec, prefix):
+ """Setup and configure the project."""
+
+ self.waf('setup', '--repo-db-url=https://github.com/electronicvisions/projects', '--without-munge',
+ '--project=hxtorch@ebrains-' + str(spec.version),
+ '--project=haldls@ebrains-' + str(spec.version),
+ '--project=grenade@ebrains-' + str(spec.version),
+ '--project=code-format@ebrains-' + str(spec.version),
+ '--project=logger@ebrains-' + str(spec.version),
+ '--project=halco@ebrains-' + str(spec.version),
+ '--project=hate@ebrains-' + str(spec.version),
+ '--project=fisch@ebrains-' + str(spec.version),
+ '--project=ztl@ebrains-' + str(spec.version),
+ '--project=hxcomm@ebrains-' + str(spec.version),
+ '--project=rant@ebrains-' + str(spec.version),
+ '--project=pywrap@ebrains-' + str(spec.version),
+ '--project=lib-boost-patches@ebrains-' + str(spec.version),
+ '--project=sctrltp@ebrains-' + str(spec.version),
+ '--project=hwdb@ebrains-' + str(spec.version),
+ '--project=visions-slurm@ebrains-' + str(spec.version),
+ '--project=flange@ebrains-' + str(spec.version),
+ '--project=lib-rcf@ebrains-' + str(spec.version),
+ '--project=bss-hw-params@ebrains-' + str(spec.version),
+ '--project=libnux@ebrains-' + str(spec.version)
+ )
+
+ args = ['--prefix={0}'.format(self.prefix)]
+ args += self.configure_args()
+
+ self.waf('configure', *args)
+
+ def build_args(self):
+ args = ['--keep', '--test-execnone', '-v']
+
+ return args
diff --git a/packages/py-bluepyopt/package.py b/packages/py-bluepyopt/package.py
new file mode 100644
index 0000000000000000000000000000000000000000..7c2b821b9c0da8a7a897eeb435a7e8a02b88a38a
--- /dev/null
+++ b/packages/py-bluepyopt/package.py
@@ -0,0 +1,45 @@
+##############################################################################
+# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+from spack import *
+
+
+class PyBluepyopt(PythonPackage):
+ """Bluebrain Python Optimisation Library"""
+
+ homepage = "https://github.com/BlueBrain/BluePyOpt"
+ pypi = "bluepyopt/bluepyopt-1.9.27.tar.gz"
+
+ # NOTE : while adding new release check pmi_rank.patch compatibility
+ version('1.10.38', sha256='fb1411c6a8fbfac52d36b837225bae882fd6524acfb4d0580189312ef3c1cfcc')
+ version('1.9.37', sha256='4399af71de48b288832e92f0de73c431bf88d6e76e2c4ea250c3b38fb38a45a8')
+ version('1.9.27', sha256='4cce15b92b32311c808cae5e005b664deb6e8dc5df4ca13ea7b59252ae346522')
+ version('1.8.68', sha256='b9d432840aab89d4863c935d3dc604816441eba02d731422b92056cee751ca9c')
+ version('1.6.56', sha256='1c57c91465ca4b947fe157692e7004a3e6df02e4151e3dc77a8831382a8f1ab9')
+ version('1.8.68', sha256='b9d432840aab89d4863c935d3dc604816441eba02d731422b92056cee751ca9c')
+ version('1.9.12', sha256='7b623ab9168f460a85d952719ca5249248fc95e6f7a02658b0673b2baa0a8fc6')
+
+ # patch required to avoid hpe-mpi linked mechanism library
+ patch("pmi_rank.patch", when="@1.9.27:")
+
+ variant('neuron', default=True, description="Use BluePyOpt together with NEURON")
+
+ depends_on('py-setuptools', type='build')
+ depends_on('py-pandas', type='run')
+ depends_on('py-numpy', type='run')
+ depends_on('py-efel', type='run')
+ depends_on('py-deap', type='run')
+ depends_on('py-scoop@0.7:', type='run', when='@:1.9.37')
+ depends_on('py-ipyparallel', type='run')
+ depends_on('py-pickleshare', type='run')
+ depends_on('py-future', type='run')
+ depends_on('py-jinja2', type='run')
+ depends_on('py-pebble@4.3.10:', type='run')
+ depends_on('neuron', type='run', when='+neuron')
+
+ def setup_run_environment(self, env):
+ env.unset('PMI_RANK')
+ env.set('NEURON_INIT_MPI', "0")
+ env.prepend_path('PATH', self.spec['py-ipyparallel'].prefix.bin)
diff --git a/packages/py-bluepyopt/pmi_rank.patch b/packages/py-bluepyopt/pmi_rank.patch
new file mode 100644
index 0000000000000000000000000000000000000000..21a73849b2868389f5e05d9670adc0fb18fadab5
--- /dev/null
+++ b/packages/py-bluepyopt/pmi_rank.patch
@@ -0,0 +1,17 @@
+diff --git a/bluepyopt/ephys/simulators.py b/bluepyopt/ephys/simulators.py
+index e71ad8b..3c93237 100644
+--- a/bluepyopt/ephys/simulators.py
++++ b/bluepyopt/ephys/simulators.py
+@@ -89,6 +89,12 @@ class NrnSimulator(object):
+ NrnSimulator._nrn_disable_banner()
+ self.banner_disabled = True
+
++ # certain mpi libraries (hpe-mpt) use PMI_RANK env variable to initialize
++ # MPI before calling MPI_Init (which is undesirable). Unset this variable
++ # if exist to avoid issue with loading neuron and mechanism library.
++ if 'PMI_RANK' in os.environ:
++ os.environ.pop("PMI_RANK")
++
+ import neuron # NOQA
+
+ return neuron
diff --git a/packages/py-libsonata/package.py b/packages/py-libsonata/package.py
new file mode 100644
index 0000000000000000000000000000000000000000..6ac7d2105103dd1609b191e7de35477cbbd70470
--- /dev/null
+++ b/packages/py-libsonata/package.py
@@ -0,0 +1,35 @@
+# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack import *
+
+
+class PyLibsonata(PythonPackage):
+ """SONATA files reader"""
+
+ homepage = "https://github.com/BlueBrain/libsonata"
+ git = "https://github.com/BlueBrain/libsonata.git"
+
+ version('develop', branch='master', submodules=True, get_full_repo=True)
+ version('0.1.12', tag='v0.1.12', submodules=True, get_full_repo=True)
+ version('0.1.11', tag='v0.1.11', submodules=True, get_full_repo=True)
+ version('0.1.10', tag='v0.1.10', submodules=True, get_full_repo=True)
+ # Important: v0.1.9 is not Spack-compatible (use v0.1.10: instead)
+ # version('0.1.9', tag='v0.1.9', submodules=True, get_full_repo=True)
+ version('0.1.8', tag='v0.1.8', submodules=True, get_full_repo=True)
+ version('0.1.6', tag='v0.1.6', submodules=True, get_full_repo=True)
+ version('0.1.5', tag='v0.1.5', submodules=True, get_full_repo=True)
+ version('0.1.4', tag='v0.1.4', submodules=True, get_full_repo=True)
+ version('0.1.3', tag='v0.1.3', submodules=True, get_full_repo=True)
+ version('0.1.0', tag='v0.1.0', submodules=True, get_full_repo=True)
+ version('0.0.3', tag='v0.0.3', submodules=True)
+
+ depends_on('cmake@3.3:', type='build')
+ depends_on('hdf5')
+ depends_on('py-pybind11')
+
+ depends_on('py-numpy@1.12:', type=('build', 'run'))
+ depends_on('py-setuptools', type='build', when='@0.1:')
+ depends_on('py-setuptools-scm', type='build', when='@0.1:')
diff --git a/packages/py-pebble/package.py b/packages/py-pebble/package.py
new file mode 100644
index 0000000000000000000000000000000000000000..ab9ef132377410fe695ee9f603df530860e67054
--- /dev/null
+++ b/packages/py-pebble/package.py
@@ -0,0 +1,21 @@
+# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack import *
+
+
+class PyPebble(PythonPackage):
+ """Python API to manage threads and processes within an application."""
+
+ homepage = "https://github.com/noxdafox/pebble"
+ pypi = "pebble/Pebble-4.5.0.tar.gz"
+ git = "https://github.com/noxdafox/pebble.git"
+
+ version('4.5.0', sha256='2de3cd11aa068e0c4a4abbaf8d4ecfdac409d8bfb78a4c211a01f6a4fb17a35f')
+ version('4.4.1', sha256='7c4d68a3479140cba74d7454d8190e2cb1a93213b44b5befe3c53c201beb8317')
+ version('4.3.10', sha256='c39a7bf99af6525fcf0783a8859fb10a4f20f4f988ddb66fd6fa7588f9c91731')
+
+ depends_on('py-setuptools', type=('build', 'run'))
+ depends_on('py-futures', type='run', when='^python@:2.9.9')
diff --git a/packages/py-pynn/package.py b/packages/py-pynn/package.py
index 3f14ed7b1ddce44f5cdb96d52149ff1a5de81705..52a88ae29dd4a93a8cda1bfa5c9527a932a6f83a 100644
--- a/packages/py-pynn/package.py
+++ b/packages/py-pynn/package.py
@@ -12,32 +12,39 @@ class PyPynn(PythonPackage):
"""
homepage = "http://neuralensemble.org/PyNN/"
- pypi = "PyNN/PyNN-0.8.3.tar.gz"
- git = "https://github.com/NeuralEnsemble/PyNN.git"
+ pypi = "PyNN/PyNN-0.10.0.tar.gz"
+ git = "https://github.com/NeuralEnsemble/PyNN.git"
+ version('0.10.0', sha256='04120fe0e03260d664b337e0ac29d985c3fb3684ef35b1add93a66739891c98f')
version('0.9.6', sha256='d85226800e30bc1692d3f84485c3fa20b921c2ab55f1201d0a3bf23432e16cd2')
version('0.9.5', sha256='91af2126b639a6a795bfc2709ac49423278c4794b6d0da143908b9afcb415f80')
- version('0.9.1', sha256='bbc60fea3235427191feb2daa0e2fa07eb1c3946104c068ac8a2a0501263b0b1')
- version('0.8.3', sha256='9d59e6cffa4714f0c892ec6b32d1f5f8f75ba3a20d8635bac50c047aa6f2537e')
- version('0.8beta', commit='ffb0cb1661f2b0f2778db8f71865978fe7a7a6a4')
- version('0.8.1', sha256='ce94246284588414d1570c1d5d697805f781384e771816727c830b01ee30fe39')
- version('0.7.5', sha256='15f75f422f3b71c6129ecef23f29d8baeb3ed6502e7a321b8a2596c78ef7e03c')
variant('mpi', default=False, description='Enable MPI support')
+ depends_on('python@2.7:2.8,3.3:', when="@0.9.5")
+ depends_on('python@2.7:2.8,3.6:', when="@0.9.6")
+ depends_on('python@3.7:', when="@0.10.0:")
- depends_on('python@2.6:2.8,3.3:')
depends_on('py-jinja2@2.7:', type=('build', 'run'))
depends_on('py-docutils@0.10:', type=('build', 'run'))
- depends_on('py-numpy@1.5:', type=('build', 'run'))
- depends_on('py-quantities@0.10:', type=('build', 'run'))
- depends_on('py-lazyarray@0.2.9:', type=('build', 'run'))
- depends_on('py-neo@0.3:0.4.1', type=('build', 'run'), when="@:0.8.3")
- depends_on('py-neo@0.5.0:', type=('build', 'run'), when="@0.9.0:")
- depends_on('py-lazyarray', type=('build', 'run'), when="@0.9.0:")
+ depends_on('py-numpy@1.8.2:', type=('build', 'run'), when="@0.9.5")
+ depends_on('py-numpy@1.13.0:', type=('build', 'run'), when="@0.9.6")
+ depends_on('py-numpy@1.16.1:', type=('build', 'run'), when="@0.10.0:")
- depends_on('mpi', when='+mpi')
depends_on('py-mpi4py', type=('build', 'run'), when='+mpi')
+ depends_on('py-quantities@0.12.1:', type=('build', 'run'), when="@0.9.5:")
+
+ depends_on('py-lazyarray@0.3.2:', type=('build', 'run'), when="@0.9.5")
+ depends_on('py-lazyarray@0.3.4:', type=('build', 'run'), when="@0.9.6")
+ depends_on('py-lazyarray@0.5.0:', type=('build', 'run'), when="@0.10.0:")
+
+ depends_on('py-neo@0.5.2:', type=('build', 'run'), when="@0.9.5")
+ depends_on('py-neo@0.8.0', type=('build', 'run'), when="@0.9.6")
+ depends_on('py-neo@0.10.0:', type=('build', 'run'), when="@0.10.0:")
+
+ depends_on('py-lazyarray@0.3.2:', type=('build', 'run'), when="@0.9.5")
+ depends_on('py-lazyarray@0.3.4:', type=('build', 'run'), when="@0.9.6")
+ depends_on('py-lazyarray@0.5.0:', type=('build', 'run'), when="@0.10.0:")
depends_on('py-mock@1.0:', type='test')
diff --git a/packages/py-pyswarms/package.py b/packages/py-pyswarms/package.py
new file mode 100644
index 0000000000000000000000000000000000000000..eb83ce579fc31b6af20764bcafaa74ee90e6ba10
--- /dev/null
+++ b/packages/py-pyswarms/package.py
@@ -0,0 +1,17 @@
+from spack import *
+
+
+class PyPyswarms(PythonPackage):
+
+ homepage = "https://github.com/ljvmiranda921/pyswarms"
+ pypi = "pyswarms/pyswarms-1.3.0.tar.gz"
+
+ version('1.3.0', sha256='1204aa9c332c662113e3c37d1b109906f4a0859b29ded80c1582dc66387ce34b')
+
+ depends_on('py-scipy', type=('build', 'run'))
+ depends_on('py-numpy', type=('build', 'run'))
+ depends_on('py-matplotlib@1.3.1:', type=('build', 'run'))
+ depends_on('py-attrs', type=('build', 'run'))
+ depends_on('py-tqdm', type=('build', 'run'))
+ depends_on('py-future', type=('build', 'run'))
+ depends_on('py-pyyaml', type=('build', 'run'))
diff --git a/packages/snudda/package.py b/packages/py-snudda/package.py
similarity index 63%
rename from packages/snudda/package.py
rename to packages/py-snudda/package.py
index 3ba55c98e191002241ea03f18b8a9792ed93c0b2..9f741f99bf1d201e311c55c07450712d750a57f3 100644
--- a/packages/snudda/package.py
+++ b/packages/py-snudda/package.py
@@ -1,8 +1,8 @@
from spack import *
-class Snudda(Package):
+class PySnudda(Package):
homepage = 'https://pypi.org/project/snudda/'
- url = 'https://pypi.org/packages/source/s/snudda/snudda-1.2.9-py3-none-any.whl'
+ url = 'https://files.pythonhosted.org/packages/py3/s/snudda/snudda-1.2.9-py3-none-any.whl'
list_url = 'https://pypi.org/simple/snudda/'
maintainers = ['hjorth','akarmas']
@@ -12,20 +12,19 @@ class Snudda(Package):
depends_on('python@3.8:', type=('build','run'))
depends_on('py-pip', type='build')
depends_on('unzip', type='build')
- #depends_on('py-bluepyopt', type=('build','run')) must get this from BlueBrainProject https://github.com/BlueBrain/spack/tree/develop/var/spack/repos/builtin/packages/py-bluepyopt
+ depends_on('py-bluepyopt', type=('build','run')) # got this from BlueBrainProject https://github.com/BlueBrain/spack/tree/develop/var/spack/repos/builtin/packages/py-bluepyopt
depends_on('py-h5py', type=('build','run'))
depends_on('py-ipyparallel', type=('build','run'))
depends_on('py-matplotlib', type=('build','run'))
depends_on('py-mpi4py', type=('build','run'))
depends_on('py-numpy', type=('build','run'))
depends_on('py-scipy', type=('build','run'))
- #depends_on('py-libsonata', type=('build','run')) - get it from https://github.com/BlueBrain/spack/tree/develop/var/spack/repos/builtin/packages/py-libsonata
+ depends_on('py-libsonata', type=('build','run')) # got it from https://github.com/BlueBrain/spack/tree/develop/var/spack/repos/builtin/packages/py-libsonata
depends_on('py-pyzmq', type=('build','run'))
depends_on('py-numexpr', type=('build','run'))
- depends_on('py-argparse', type=('build','run'))
depends_on('neuron', type=('build','run'))
- #depends_on('pyswarms', type=('build','run')) - must package this
- depends_on('py-setuptools', type=('build','run'))
+ depends_on('py-pyswarms', type=('build','run'))
+ depends_on('py-setuptools', type=('build'))
depends_on('py-psutil', type=('build','run'))
depends_on('py-cython', type=('build','run'))
depends_on('py-numba', type=('build','run'))
diff --git a/packages/pynn-brainscales/package.py b/packages/pynn-brainscales/package.py
index 0cb2c05025977d0eeef82dc787ae42e196fafb32..bc16c0af0ac63be9dfe9e3a8c210f4c3a63569f6 100644
--- a/packages/pynn-brainscales/package.py
+++ b/packages/pynn-brainscales/package.py
@@ -11,7 +11,7 @@ class PynnBrainscales(WafPackage):
homepage = "https://github.com/electronicvisions/pynn-brainscales"
git = "https://github.com/electronicvisions/pynn-brainscales.git"
- version('2.0-rc5', branch='waf')
+ version('2.0-rc6', branch='waf')
# PPU compiler dependencies
depends_on('oppulance@2.0:')
diff --git a/spack.yaml b/spack.yaml
index 60a65fdba64664f1a61367033aa31318d999fee5..e4231356d231b69d3ed06a7075f7c6f91e78ae65 100644
--- a/spack.yaml
+++ b/spack.yaml
@@ -21,14 +21,16 @@ spack:
- nest@3.3 +python +gsl +mpi
- arbor +python +mpi ^python@3:3.9
- neuron +mpi
- - py-pynn@0.9.6
+ # - py-pynn@0.9.6
+ - py-pynn@0.10.0 +mpi
- tvb-data
- tvb-library ^py-numba@0.54.0 ^binutils+ld+gold
- tvb-storage ^binutils+ld+gold
- py-pyaescrypt
- py-formencode
- tvb-framework ^binutils+ld+gold
- - pynn-brainscales@2.0-rc5 ^log4cxx@0.10.0 ^googletest@1.11.0:+gmock
+ - pynn-brainscales@2.0-rc6 ^log4cxx@0.10.0 ^googletest@1.11.0:+gmock
+ #- hxtorch@2.0-rc6 ^log4cxx@0.10.0 ^googletest@1.11.0:+gmock
- py-neo
#- py-cerebstats
#- py-cerebunit
@@ -50,10 +52,11 @@ spack:
- py-lfpy@2.2.6
- py-elephant
- py-frites
+ #- py-snudda
#- biobb-common
#- biobb-md
#- apbs
- - py-pdb2pqr
+ #- py-pdb2pqr
#- sda
# demo for codejam12
#- funniest1022