astyle : a local version of astyle, used to format code
configurations : template configuration files
configure : configuration script
configure.ac : configuration script (autoconf)
developer-doc : developer documentation
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@@ -20,30 +62,27 @@ Content
regtest : regression tests, including reference results
scripts : shell tools
src : source code
sourceme.sh : template configuration script
sourceme.sh.in : template configuration script
test : examples
user-doc : user documentation
vim : directory where vim syntax is generated
Install
-------
Extensive installation instructions are in the user documentation.
Links to precompiled versions of the documentation can be found [here](http://www.plumed.org/documentation).
Required software
-----------------
Required software:
* GNU make
* GNU make.
* C/c++ compiler (c++11 support is required as of version 2.4).
* A modern version of the `patch` command line tool
* Support for POSIX library `dirent.h`
*`xxd` (present in most unix distributions)
* A modern version of the `patch` command line tool.
* Support for POSIX library `dirent.h`.
*`xxd` (present in most UNIX distributions).
Suggested software (libraries are checked by `./configure` and enabled if available):
* Optimized blas and lapack libraries. Can be replaced by an internal version if not available.
* MPI library to run parallel simulations. It should be the same library used by your MD code.
*[VMD molfile plugins](http://www.ks.uiuc.edu/Research/vmd/plugins) to read arbitrary file formats. Can be replaced by an internal version supporting a few formats if not available.
* Optimized blas and lapack libraries. They are automatically replaced by an internal version if not available.
*[VMD molfile plugins](http://www.ks.uiuc.edu/Research/vmd/plugins) to read arbitrary file formats. They are automatically replaced by an internal version supporting a few formats if not available.
*[Matheval library](http://www.gnu.org/software/libmatheval) to use algebraic collective variables.
*[Zlib library](http://zlib.net/) to use compressed data files.
*[Xdrfile library](http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library) to have read/write access to gromacs
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...
@@ -56,6 +95,7 @@ Suggested software (libraries are checked by `./configure` and enabled if availa
Quick compilation instructions
------------------------------
Extensive installation instructions are in the [user documentation](http://www.plumed.org/documentation).
Configure for your system
./configure --prefix=$HOME/opt
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...
@@ -74,12 +114,14 @@ The `plumed` executable should be now in your execution path
plumed help
Compile the manuals (pre-compiled manual is available online):
Compile the manuals.
make doc
User documentation can be found at `user-doc/html/index.html`.
Developer documentation can be found at `developer-doc/html/index.html`.
[Pre-compiled documentation](http://www.plumed.org/documentation) is available online, so this is only required
if you are working with a modified version of the code!
Install PLUMED in `$HOME/opt` (directory should be set during `./configure`):
...
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@@ -87,47 +129,4 @@ Install PLUMED in `$HOME/opt` (directory should be set during `./configure`):
make install
A sample modulefile with environment variable will be placed in
`$HOME/opt/lib/plumed/src/lib/modulefile`. Path to the installed documentation can be found with command `plumed info --user-doc`.
Branches and releases
---------------------
Several branches and tags are stored on the git repository.
Branches named `v2.X` correspond to release branches.
Master branch may contain non tested features and is not expected to be used by non-developers.
It typically contains features that will be available on the next release.
Tags named `v2.XbY` correspond to beta releases, use it with care.
Tags named `v2.X.Y` correspond to official releases, use the latest available.
To report problems found on beta or official releases, use the normal `plumed-users@googlegroups.com`
mailing list. Just state exactly which version you are using.
To report problems found on `master` branch, use the `plumed2-git@googlegroups.com` mailing list.
This is also the correct place for discussions about new features etc.
When reporting please provide the git hash (you can obtain it with `git rev-parse HEAD`).
In addition, the repository contains a number of other branches related to specific features.
Please contact the developers that are committing on those branches before basing your work
there, since they might contain temporary work and might be rebased laster.
For instance, branch `testdoc` is setup so as to push a test copy of the manual
and is often force pushed.
Status
------
Below you find the status on Travis-CI for the release branches.
| v2.2 | [](https://travis-ci.org/plumed/plumed2) | no |
| v2.1 | [](https://travis-ci.org/plumed/plumed2) | no |
| v2.0 | Not available | no |
`$HOME/opt/lib/plumed/src/lib/modulefile`. If you compiled your own documentation, paths to the installed documentation can be found with command `plumed info --user-doc`.
