https://github.com/metatensor/py-plumed-metatomic-feedstock
conda-smithy feedstock for py-plumed-metatomic
https://github.com/metatensor/py-plumed-metatomic-feedstock
Last synced: 12 months ago
JSON representation
conda-smithy feedstock for py-plumed-metatomic
- Host: GitHub
- URL: https://github.com/metatensor/py-plumed-metatomic-feedstock
- Owner: metatensor
- License: bsd-3-clause
- Created: 2025-06-19T15:09:34.000Z (12 months ago)
- Default Branch: main
- Last Pushed: 2025-06-19T21:28:18.000Z (12 months ago)
- Last Synced: 2025-06-19T22:29:07.863Z (12 months ago)
- Language: Shell
- Size: 17.6 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 py-plumed-metatomic-feedstock
===================================
Feedstock license: [BSD-3-Clause](https://github.com/metatensor/py-plumed-metatomic-feedstock/blob/main/LICENSE.txt)
Home: http://www.plumed.org/
Package license: LGPL-3.0
Summary: Python wrappers for plumed library
Development: https://github.com/plumed/plumed2
Documentation: https://www.plumed.org/doc
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/py-plumed-metatomic) | [](https://anaconda.org/metatensor/py-plumed-metatomic) | [](https://anaconda.org/metatensor/py-plumed-metatomic) | [](https://anaconda.org/metatensor/py-plumed-metatomic) |
Installing py-plumed-metatomic
==============================
Installing `py-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, `py-plumed-metatomic` can be installed with `conda`:
```
conda install py-plumed-metatomic
```
or with `mamba`:
```
mamba install py-plumed-metatomic
```
It is possible to list all of the versions of `py-plumed-metatomic` available on your platform with `conda`:
```
conda search py-plumed-metatomic --channel metatensor
```
or with `mamba`:
```
mamba search py-plumed-metatomic --channel metatensor
```
Alternatively, `mamba repoquery` may provide more information:
```
# Search all versions available on your platform:
mamba repoquery search py-plumed-metatomic --channel metatensor
# List packages depending on `py-plumed-metatomic`:
mamba repoquery whoneeds py-plumed-metatomic --channel metatensor
# List dependencies of `py-plumed-metatomic`:
mamba repoquery depends py-plumed-metatomic --channel metatensor
```
Updating py-plumed-metatomic-feedstock
======================================
If you would like to improve the py-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/py-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/)