TREX/trexio
1
0
Fork 0
mirror of https://github.com/TREX-CoE/trexio.git synced 2025-01-03 18:16:22 +01:00
Code Issues Projects Releases Wiki Activity

Including conda and pytest in README

Browse Source
This commit is contained in:
q-posev 2022-06-01 17:02:41 +02:00
parent 005f9500d8
commit 129f5b6f83
1 changed files with 19 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

20
README.md
View File

@ -34,7 +34,7 @@ TREX library for efficient I/O.
- python3 (>= 3.6) - python3 (>= 3.6)
- Emacs (>= 26.0) - Emacs (>= 26.0)
- SWIG (>= 4.0) - SWIG (>= 4.0) [required for the Python API]
## Installation procedure from the GitHub repo clone (for developers): ## Installation procedure from the GitHub repo clone (for developers):
@ -61,6 +61,18 @@ The aforementioned instructions rely on [Autotools](https://www.gnu.org/software
**Note: when linking against an MPI-enabled HDF5 library one usually has to specify the MPI wrapper for the C compiler by adding, e.g., `-DCMAKE_C_COMPILER=mpicc` to the `cmake` command.** **Note: when linking against an MPI-enabled HDF5 library one usually has to specify the MPI wrapper for the C compiler by adding, e.g., `-DCMAKE_C_COMPILER=mpicc` to the `cmake` command.**
## Installation procedure for conda users
The official releases (tarballs) of TREXIO `>2.0.0` are also available via the `conda-forge` channel.
The pre-compiled stable binaries of `trexio` can be installed as follows:
```
conda install trexio -c conda-forge
```
More details can be found in the corresponding [trexio-feedstock](https://github.com/conda-forge/trexio-feedstock).
Note that both parallel (see `mpi_openmpi` prefix) and serial (`nompi`) variants are provided.
## Compilation without the HDF5 library ## Compilation without the HDF5 library
By default, the configuration step proceeds to search for the [HDF5 library](https://portal.hdfgroup.org/display/HDF5/HDF5). By default, the configuration step proceeds to search for the [HDF5 library](https://portal.hdfgroup.org/display/HDF5/HDF5).
@ -130,6 +142,12 @@ make python-install
**Note: this implies that both HDF5 and SWIG are installed and available. **Note: this implies that both HDF5 and SWIG are installed and available.
At the moment, it is not possible to configure the Python API without HDF5 library.** At the moment, it is not possible to configure the Python API without HDF5 library.**
We rely on the `pytest` package for unit testing. It can be installed via `pip install pytest`. To test the installation, run
```
make python-test
```
We highly recommend to use virtual environments to avoid compatibility issues and to improve reproducibility. We highly recommend to use virtual environments to avoid compatibility issues and to improve reproducibility.