https://github.com/metatensor/plumed-metatomic-feedstock
conda-smithy feedstock for plumed-metatomic
https://github.com/metatensor/plumed-metatomic-feedstock
Last synced: 12 months ago
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conda-smithy feedstock for plumed-metatomic
- Host: GitHub
- URL: https://github.com/metatensor/plumed-metatomic-feedstock
- Owner: metatensor
- License: bsd-3-clause
- Created: 2025-06-19T09:36:34.000Z (about 1 year ago)
- Default Branch: main
- Last Pushed: 2025-06-19T16:15:15.000Z (12 months ago)
- Last Synced: 2025-06-19T17:26:52.323Z (12 months ago)
- Language: Shell
- Size: 21.5 KB
- Stars: 0
- Watchers: 0
- Forks: 1
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE.txt
- Codeowners: .github/CODEOWNERS
Awesome Lists containing this project
README
About plumed-metatomic-feedstock
================================
Feedstock license: [BSD-3-Clause](https://github.com/metatensor/plumed-metatomic-feedstock/blob/main/LICENSE.txt)
Home: http://www.plumed.org/
Package license: LGPL-3.0-only
Summary: Free energy calculations in molecular systems
Development: https://github.com/plumed/plumed2
Documentation: https://docs.metatensor.org/latest/atomistic/engines/plumed.html
PLUMED is an open source library for free energy calculations in molecular
systems which works together with some of the most popular molecular
dynamics engines. This version enables the metatomic integration.
Current build status
====================
Current release info
====================
| Name | Downloads | Version | Platforms |
| --- | --- | --- | --- |
| [](https://anaconda.org/metatensor/plumed-metatomic) | [](https://anaconda.org/metatensor/plumed-metatomic) | [](https://anaconda.org/metatensor/plumed-metatomic) | [](https://anaconda.org/metatensor/plumed-metatomic) |
Installing plumed-metatomic
===========================
Installing `plumed-metatomic` from the `metatensor` channel can be achieved by adding `metatensor` to your channels with:
```
conda config --add channels metatensor
conda config --set channel_priority strict
```
Once the `metatensor` channel has been enabled, `plumed-metatomic` can be installed with `conda`:
```
conda install plumed-metatomic
```
or with `mamba`:
```
mamba install plumed-metatomic
```
It is possible to list all of the versions of `plumed-metatomic` available on your platform with `conda`:
```
conda search plumed-metatomic --channel metatensor
```
or with `mamba`:
```
mamba search plumed-metatomic --channel metatensor
```
Alternatively, `mamba repoquery` may provide more information:
```
# Search all versions available on your platform:
mamba repoquery search plumed-metatomic --channel metatensor
# List packages depending on `plumed-metatomic`:
mamba repoquery whoneeds plumed-metatomic --channel metatensor
# List dependencies of `plumed-metatomic`:
mamba repoquery depends plumed-metatomic --channel metatensor
```
Updating plumed-metatomic-feedstock
===================================
If you would like to improve the plumed-metatomic recipe or build a new
package version, please fork this repository and submit a PR. Upon submission,
your changes will be run on the appropriate platforms to give the reviewer an
opportunity to confirm that the changes result in a successful build. Once
merged, the recipe will be re-built and uploaded automatically to the
`metatensor` channel, whereupon the built conda packages will be available for
everybody to install and use from the `metatensor` channel.
Note that all branches in the metatensor/plumed-metatomic-feedstock are
immediately built and any created packages are uploaded, so PRs should be based
on branches in forks and branches in the main repository should only be used to
build distinct package versions.
In order to produce a uniquely identifiable distribution:
* If the version of a package **is not** being increased, please add or increase
the [``build/number``](https://docs.conda.io/projects/conda-build/en/latest/resources/define-metadata.html#build-number-and-string).
* If the version of a package **is** being increased, please remember to return
the [``build/number``](https://docs.conda.io/projects/conda-build/en/latest/resources/define-metadata.html#build-number-and-string)
back to 0.
Feedstock Maintainers
=====================
* [@HaoZeke](https://github.com/HaoZeke/)
* [@Luthaf](https://github.com/Luthaf/)