From e51a29ef17650ea5732658749d7ef013dfbc4934 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Mon, 27 May 2019 12:51:56 +0200 Subject: [PATCH] Updated conda instructions to conda-forge channel --- CHANGES/v2.5.md | 2 +- user-doc/Installation.md | 22 ++++++++++++++++------ 2 files changed, 17 insertions(+), 7 deletions(-) diff --git a/CHANGES/v2.5.md b/CHANGES/v2.5.md index 87be24a4d..0aaf83f2a 100644 --- a/CHANGES/v2.5.md +++ b/CHANGES/v2.5.md @@ -187,4 +187,4 @@ For users: - `Plumed` object can be explicitly finalized using `finalize()`. Can be used to make sure all files are closed, but it is not necessary if the `Plumed` object gets correctly collected by Python. - `Plumed` object can be used in context managers (e.g. `with plumed.Plumed() as p:`). -- Precompiled binaries are available on [Anaconda cloud](https://anaconda.org/plumed/plumed). +- Precompiled binaries are available on Anaconda cloud on the [conda-forge channel](https://anaconda.org/conda-forge/plumed). diff --git a/user-doc/Installation.md b/user-doc/Installation.md index 527e2bdb9..d9ed5b969 100644 --- a/user-doc/Installation.md +++ b/user-doc/Installation.md @@ -630,16 +630,26 @@ gromacs once for all and combine it with your working version of PLUMED. If you use the conda package manager you can install a precompiled PLUMED binary using the following command: \verbatim -> conda install -c plumed/label/testing plumed +> conda install -c conda-forge plumed +\endverbatim +Similarly, the python wrappers can be installed with +\verbatim +> conda install -c conda-forge py-plumed \endverbatim -\warning Currently this is a test version. Starting with PLUMED 2.5.2 it will be possible to download -the latest official release. +These packages are part of [conda-forge](https://anaconda.org/conda-forge) and as such should be binary compatible +with other codes from the same distribution. Notice that it should also be possible to combine the installed +plumed kernel with an MD code compiled outside of conda (or within a different conda environment) +if plumed is linked in runtime mode. +The only variable that you need to set in order to access to the installed plumed kernel is +`PLUMED_KERNEL` (e.g., `export PLUMED_KERNEL=/conda/prefix/lib/libplumedKernel.so`). Notice that binaries are only available for Linux and MacOS and that they have a limited number of features. -In particular, they do not support MPI, nor the other optional libraries used by PLUMED, and do not -include optional modules. However, they can be used to quickly install a working PLUMED version -without the need to have a compiler. +In particular, they do not support MPI and do not include optional modules. +However, they can be used to quickly install a working PLUMED version without the need to have a compiler. + +Notice that there are additional conda packages on the [plumed](https://anaconda.org/plumed/plumed) channel. +Those packages are for testing only. \section installingonacluster Installing PLUMED on a cluster -- GitLab