{ "info": { "author": "W. Trevor King", "author_email": "wking@drexel.edu", "bugtrack_url": null, "classifiers": [], "description": "Sawsim is a force-spectroscopy simulator. See the manual for more\ndetails.\n\n\nPackages\n--------\n\nGentoo\n~~~~~~\n\nI've packaged sawsim for Gentoo_ as sci-physics/sawsim in my `wtk\noverlay`_. To install, run::\n\n # emerge -av app-portage/layman\n # layman --add wtk\n # emerge -av sci-physics/sawsim\n\nTo stay current, follow the sawsim `Atom`_ or `RSS`_ feed, and\nre-emerge when there are interesting changes.\n\nYou can skip the Compiling_ and Upgrading_ sections of this README ;).\n\n.. _Gentoo: http://www.gentoo.org/\n.. _wtk overlay: http://blog.tremily.us/posts/Gentoo_overlay/\n.. _Layman: http://www.gentoo.org/proj/en/overlays/userguide.xml\n.. _Atom: http://git.tremily.us/?p=sawsim.git;a=atom\n.. _RSS: http://git.tremily.us/?p=sawsim.git;a=rss\n\n\nCompiling\n---------\n\nCheck out the source::\n\n $ git clone git://tremily.us/sawsim.git\n $ cd sawsim\n\nSawsim is written in noweb_. Extract the `Makefile` and compile with::\n\n $ notangle -Rmakefile src/sawsim.nw | sed 's/ /\\t/' > Makefile\n $ make\n\nRun the unit tests with::\n\n $ make check\n\nIf you're using the Python bindings (`pysawsim` or `bin/*.py`), you\nshould run the `pysawsim` unit tests with::\n\n $ ./misc/hooks/pre-commit-pysawsim-check\n\n\nUpgrading\n~~~~~~~~~\n\nUpgrade to the most recent version::\n\n sawsim$ git pull\n sawsim$ make && make check && ./misc/hooks/pre-commit-pysawsim-check\n\n\nDependencies\n------------\n\n============ ===================== ================= ======================\nPackage Purpose Debian Gentoo\n============ ===================== ================= ======================\ngit_ version control git-core dev-vcs/git\nnoweb_ source code framework noweb app-text/noweb\nGSL_ sawsim dependency libgsl0-dev sci-libs/gsl\ncheck_ sawsim unit tests check dev-libs/check\npython_ 2.5+ pysawsim execution python dev-lang/python\nnose_ pysawsim testing python-nose dev-python/nose\nmatplotlib_ pysawsim execution python-matplotlib dev-python/matplotlib\nnumpy_ pysawsim execution python-numpy dev-python/numpy\nscipy_ pysawsim execution python-scipy sci-libs/scipy\nmpi4py_ pysawsim mpi manager [1]_ dev-python/mpi4py\npbs-python_ pysawsim pbs manager [2]_ sys-cluster/pbs-python\n============ ===================== ================= ======================\n\n.. _git: http://git-scm.com/\n.. _noweb: http://www.eecs.harvard.edu/~nr/noweb/\n.. _GSL: http://www.gnu.org/software/gsl/\n.. _check: http://check.sourceforge.net/\n.. _python: http://www.python.org/\n.. _nose: http://somethingaboutorange.com/mrl/projects/nose/0.11.2/\n.. _matplotlib: http://matplotlib.sourceforge.net/\n.. _numpy: http://numpy.scipy.org/\n.. _scipy: http://www.scipy.org/\n.. _mpi4py: http://mpi4py.scipy.org/\n.. _pbs-python homepage:\n.. _pbs-python: http://subtrac.sara.nl/oss/pbs_python\n\n.. [1] mpi4py has no Debian package, but you can install it with\n distribute_ (a `setuptools` fork) (Debian: python-distribute,\n Gentoo: setuptools/setuptools) via::\n\n $ easy_install --user mpi4py\n\n For systems with earlier versions of `distribute`/`setuptools`,\n which lack the `--user` option, try something along the lines of::\n\n $ easy_install --user mpi4py\n $ easy_install --prefix $HOME/.local/ mpi4py\n\n.. [2] pbs-python has no Debian package, but you can install it from\n source. See the `pbs-python homepage`_.\n\n.. _distribute: http://pypi.python.org/pypi/distribute\n\n\nPYTHONPATH\n~~~~~~~~~~\n\nIf you install Python packages at the user level (vs. system-wide\ninstalls) you may need to setup a `PYTHONPATH` environmental variable\nso Python can find the packages. You'll probably want to add a line\nalong the lines of::\n\n export PYTHONPATH=\".:$HOME/.local/lib/python2.6/site-packages\"\n\nto your `~/.bashrc` file to ensure that the new `PYTHONPATH` is setup\nfor all future logins.\n\n\nPython wrapper\n--------------\n\nThe `sawsim` binary only runs a single pull, but you'll probably want\nto run many repetitions to generate enough data for significant\nstatistical analysis. To facilitate this, we provide the `pysawsim`\nmodule which provides a higher level interface to `sawsim`.\n\nEnsure that . is in your PYTHONPATH_, and run the pysawsim tests::\n\n sawsim$ ./misc/hooks/pre-commit-pysawsim-check\n\nSeveral `pysawsim` submodules have scripts (`bin/*.py`) providing\ncommand-line access to their functionality. Many users will probably\nonly need a single call to `bin/sawsim_hist_scan.py` to fit their\nunfolding force histograms to a particular model.\n\n\nJob managers\n~~~~~~~~~~~~\n\nFor the `--manager` option, use whatever job scheduling system is most\nappropriate for your host. For example:\n\n======================================================== =======\nHost description Manager\n======================================================== =======\nSMP machine with many processors subproc\nCluster with the Torque/Maui portable batch queue system pbs\nBunch of machines which can host message-passing daemons mpi\nMy wimpy single-processor, single-core netbook thread\n======================================================== =======\n\n\nCaching\n~~~~~~~\n\nBy default, the python wrappers do not cache the results of previous\nruns. However, if you are repeatedly running sawsim with the same\nparameters, you probably want to enable caching (`-C/--use-cache`).\nThe output of each `sawsim` run will be stored in your cache directory\n(`-d/--cache-dir`) and recycled for future runs with the same sawsim\nparameters. For example, if you place 200 runs in the cache::\n\n $ bin/sawsim_hist.py -s bin/sawsim -N 200 --use-cache\n\nAnd then generate another histogram with the same `sawsim` parameters::\n\n $ bin/sawsim_hist.py -s bin/sawsim -N 300 --use-cache\n\nThe second call will only execute an additional 100 `sawsim` runs.\n\nIf you ask for *fewer* runs than are contained in the cache, e.g.::\n\n $ bin/sawsim_hist.py -s bin/sawsim -N 100 --use-cache\n\nYou will not run *any* new `sawsim` runs. All 100 runs will be drawn\nat random from the cache.\n\n\nHelp\n----\n\nAs always, run::\n\n sawim$ bin/ --help\n\nfor more details.\n\n\nLicense\n-------\n\nSaswim is released under the GNU GPLv3+. See `COPYING` for details.", "description_content_type": null, "docs_url": null, "download_url": "http://git.tremily.us/?p=sawsim.git;a=snapshot;h=v0.10;sf=tgz", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "http://blog.tremily.us/posts/sawsim/", "keywords": null, "license": "UNKNOWN", "maintainer": null, "maintainer_email": null, "name": "pysawsim", "package_url": "https://pypi.org/project/pysawsim/", "platform": "UNKNOWN", "project_url": "https://pypi.org/project/pysawsim/", "project_urls": { "Download": "http://git.tremily.us/?p=sawsim.git;a=snapshot;h=v0.10;sf=tgz", "Homepage": "http://blog.tremily.us/posts/sawsim/" }, "release_url": "https://pypi.org/project/pysawsim/0.10/", "requires_dist": null, "requires_python": null, "summary": "Python framework for the sawsim force spectroscopy simulator.", "version": "0.10" }, "last_serial": 380997, "releases": { "0.10": [] }, "urls": [] }