| Name | x3cflux JSON |
| Version |
3.0.0a0
JSON |
| download |
| home_page | None |
| Summary | Python interface for 13CFLUX |
| upload_time | 2025-08-20 23:16:19 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.9 |
| license | None |
| keywords |
13c-mfa
mfa
mass-spectrometry
hpc
|
| VCS |
|
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
<img src="https://jugit.fz-juelich.de/IBG-1/ModSim/Fluxomics/13CFLUX/-/raw/develop/docs/source/images/banner.png" width=350>
[](https://jugit.fz-juelich.de/fluxomics/x3cflux/-/commits/develop)
[](https://jugit.fz-juelich.de/fluxomics/x3cflux/-/commits/develop)
is a high-performance simulator for isotopically stationary and non-stationary simulation of isotope labeling
experiments.
## Installation
### Python Package Index (PyPI)
The recommended way for practitioners to install *13CFLUX* is via *pip* from the Python Package Index. It is the most
careless and easy, but will be slightly slower than a source build. Just run
```shell
pip install x3cflux
```
It is recommended to do this in a Python environment.
### Source build
#### Requirements
The following requirements have to be met to install *13CFLUX*:
- C++17 capable compiler (currently supported: *gcc*, *clang*)
- *CMake* (>= 3.0)
- *Boost*: log, date time, unit test framework (>= 1.65)
- *FluxML* (compiled with --enable-pic to build the python wrapper)
- *OpenMP* (>= 3.0, optional)
#### PyProject build
The most easy way to install from source is to run
```shell
pip install .
```
in the root directory of the project. This will compile the project.
#### CMake build
Change into the project root directory and open a terminal. Then enter
```shell script
mkdir build && cd build
```
In the build directory run
```shell script
cmake ..
```
to configure *CMake*. You can supply this call with `-DBUILD_TESTS=ON` to enable testing or `-DBUILD_NATIVE=ON` to
optimize the binary to the compilation machine. After that you can build *13CFLUX* with
```shell script
cmake --build .
```
Open a terminal in the build directory and enter
```shell script
sudo make install
```
## Development
The development of *13CFLUX* primarily takes place on
[JuGit](https://jugit.fz-juelich.de/IBG-1/ModSim/Fluxomics/13CFLUX), where we have access to powerful continuous
integration and a Docker registry. The GitHub repository is only a mirror, so please report issues and make pull
requests on JuGit.
## Citing
Raw data
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"description": "<img src=\"https://jugit.fz-juelich.de/IBG-1/ModSim/Fluxomics/13CFLUX/-/raw/develop/docs/source/images/banner.png\" width=350>\n\n[](https://jugit.fz-juelich.de/fluxomics/x3cflux/-/commits/develop)\n[](https://jugit.fz-juelich.de/fluxomics/x3cflux/-/commits/develop)\n\nis a high-performance simulator for isotopically stationary and non-stationary simulation of isotope labeling\nexperiments.\n\n## Installation\n\n### Python Package Index (PyPI)\n\nThe recommended way for practitioners to install *13CFLUX* is via *pip* from the Python Package Index. It is the most\ncareless and easy, but will be slightly slower than a source build. Just run\n\n```shell\npip install x3cflux\n```\n\nIt is recommended to do this in a Python environment.\n\n### Source build\n\n#### Requirements\n\nThe following requirements have to be met to install *13CFLUX*:\n\n- C++17 capable compiler (currently supported: *gcc*, *clang*)\n- *CMake* (>= 3.0)\n- *Boost*: log, date time, unit test framework (>= 1.65)\n- *FluxML* (compiled with --enable-pic to build the python wrapper)\n- *OpenMP* (>= 3.0, optional)\n\n#### PyProject build\n\nThe most easy way to install from source is to run\n\n```shell\npip install .\n```\n\nin the root directory of the project. This will compile the project.\n\n#### CMake build\n\nChange into the project root directory and open a terminal. Then enter\n\n```shell script\nmkdir build && cd build\n```\n\nIn the build directory run\n\n```shell script\ncmake ..\n```\n\nto configure *CMake*. You can supply this call with `-DBUILD_TESTS=ON` to enable testing or `-DBUILD_NATIVE=ON` to\noptimize the binary to the compilation machine. After that you can build *13CFLUX* with\n\n```shell script\ncmake --build .\n```\n\nOpen a terminal in the build directory and enter\n\n```shell script\nsudo make install\n```\n\n## Development\n\nThe development of *13CFLUX* primarily takes place on\n[JuGit](https://jugit.fz-juelich.de/IBG-1/ModSim/Fluxomics/13CFLUX), where we have access to powerful continuous\nintegration and a Docker registry. The GitHub repository is only a mirror, so please report issues and make pull\nrequests on JuGit.\n\n## Citing",
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