Port details on branch 2024Q2 |
- py-MDAnalysis Python library to analyze molecular dynamics trajectories
- 2.7.0 science =0 2.7.0Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2024-05-06 21:09:11
- Last Update: 2024-05-06 21:08:12
- Commit Hash: bf2a1f1
- Also Listed In: python
- License: GPLv2
- WWW:
- https://www.mdanalysis.org
- Description:
- MDAnalysis is an object-oriented Python library to analyze trajectories from
molecular dynamics (MD) simulations in many popular formats. It can write most
of these formats, too, together with atom selections suitable for visualization
or native analysis tools.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}MDAnalysis>0:science/py-MDAnalysis@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-MDAnalysis/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-MDAnalysis
- pkg install py39-MDAnalysis
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above. NOTE: This is a Python port. Instead of py39-MDAnalysis listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-MDAnalysis
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1714979275
SHA256 (MDAnalysis-2.7.0.tar.gz) = 572e82945e5d058e3749ec5f18e6b3831ef7f2119cb54672567ae9a977201e93
SIZE (MDAnalysis-2.7.0.tar.gz) = 3938260
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-packaging>=2.0 : devel/py-packaging@py39
- cython-3.9 : lang/cython@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- clustalw2 : biology/clustalw
- rdkit>0 : science/rdkit
- py39-biopython>=1.71 : biology/py-biopython@py39
- py39-GridDataFormats>=0.4.0 : math/py-GridDataFormats@py39
- py39-fasteners>0 : devel/py-fasteners@py39
- py39-gsd>=1.9.3 : science/py-gsd@py39
- py39-joblib>0 : devel/py-joblib@py39
- py39-matplotlib>=1.5.1 : math/py-matplotlib@py39
- py39-mmtf-python>=1.0.0 : science/py-mmtf-python@py39
- py39-networkx>=2.0 : math/py-networkx@py39
- py39-scipy>=1.5.0 : science/py-scipy@py39
- py39-seaborn>0 : math/py-seaborn@py39
- py39-six>=1.4.0 : devel/py-six@py39
- py39-tqdm>=4.43.0 : misc/py-tqdm@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- This port is required by:
- for Run
-
- science/py-MDAnalysisTests
Configuration Options:
- No options to configure
- Options name:
- science_py-MDAnalysis
- USES:
- compiler:c++11-lang python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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