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openchemistry

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Supermodule containing submodules and external project to build all components

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최종 버전 다운로드 (.zip)

- - update-dependencies.yml
- BuildLocation.cmake
- BuildType.cmake
- check_updates.py
- chemicaljsonformat.txt
- dependency-updates.json
- download_all.cmake
- download_dir.cmake
- External_avogadroapp.cmake
- External_avogadrolibs.cmake
- External_eigen.cmake
- External_glew.cmake
- External_gtest.cmake
- External_hdf5.cmake
- External_JKQTPlotter.cmake
- External_kdsoap.cmake
- External_libarchive.cmake
- External_libmsym.cmake
- External_libxml2.cmake
- External_mmtfcpp.cmake
- External_molequeue.cmake
- External_mongochem.cmake
- External_msgpackc.cmake
- External_openbabel.cmake
- External_pybind11.cmake
- External_qttesting.cmake
- External_sentry.cmake
- External_spglib.cmake
- External_yaehmop.cmake
- External_zlib.cmake
- fastaformat.txt
- FindGLEW.cmake
- FindMongoDB.cmake
- flatpak_sources.cmake
- glew.CMakeLists.txt.in
- header_library.CMakeLists.txt
- ichilnct.txt
- libarchive.CMakeLists.txt
- libxml2_Makefile.msvc
- mongodb.connpool.cpp.patch
- obabel.CMakeLists.txt
- projects.cmake
- spglib.CMakeLists.txt
- tightbind.CMakeLists.txt
- verify_sentry_install.cmake
- zlib.CMakeLists.txt
- zlib.gzguts.h
- CMakeLists.txt
- jkqtplotter
- pybind11
- qttesting
- yaehmop
.gitmodules
avogadro-i18n
avogadroapp
avogadrodata
avogadrolibs
avogenerators
CMakeLists.txt
CONTRIBUTING.md
crystals
CTestConfig.cmake
fragments
jupyter-examples
LICENSE
molecules
molequeue
README.md

// repository documentation

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Open Chemistry
==============
![Open Chemistry][OpenChemistryLogo]

Introduction
------------

The Open Chemistry project is a collection of open source, cross platform
libraries and applications for the exploration, analysis and generation of
chemical data. The project builds upon various efforts by collaborators and
innovators in open chemistry such as the Blue Obelisk, Quixote and the
associated projects. We aim to improve the state of the art, and facilitate the
open exchange of ideas and exchange of chemical data leveraging the best
technologies ranging from quantum chemistry codes, molecular dynamics,
informatics and visualization.

This repository contains git submodules for the Open Chemistry projects:
Avogadro, MoleQueue and MongoChem. It can be used to download all relevant
source files as well as building many of the necessary dependencies. Please
see the documentation in the submodules for more details about each project.

![Kitware, Inc.][KitwareLogo]

Installing
----------

We provide nightly binaries built by our [dashboards][Dashboard] for Mac OS
X and Windows. If you would like to build from source we recommend that you
follow our [building Open Chemistry][Build] guide that will take care of
building most dependencies.

Contributing
------------

Our project uses the standard GitHub pull request process for code review
and integration. Please check our [development][Development] guide for more
details on developing and contributing to the project. The GitHub issue
tracker can be used to report bugs, make feature requests, etc.

Our [wiki][Wiki] is used to document features, flesh out designs and host other
documentation. Our API is [documented using Doxygen][Doxygen] with updated
documentation generated nightly. We have several [mailing lists][MailingLists]
to coordinate development and to provide support.

[OpenChemistry]: http://openchemistry.org/ "Open Chemistry Project"
  [OpenChemistryLogo]: http://openchemistry.org/files/logos/openchem128.png "Open Chemistry"
  [Kitware]: http://kitware.com/ "Kitware, Inc."
  [KitwareLogo]: http://www.kitware.com/img/small_logo_over.png "Kitware"
  [Dashboard]: http://cdash.openchemistry.org/index.php?project=OpenChemistry "Open Chemistry Dashboard"
  [Build]: http://wiki.openchemistry.org/Build "Building Open Chemistry"
  [Development]: http://wiki.openchemistry.org/Development "Development guide"
  [Wiki]: http://wiki.openchemistry.org/ "Open Chemistry wiki"
  [MailingLists]: http://openchemistry.org/mailing-lists "Mailing Lists"