Commit Graph

9 Commits

Author SHA1 Message Date
Sylvain Tricot 860d8b8037 Fix import order in setup.py
The sys module should be imported first to decalre msspec
path as soon as possible. It enables to load the version module
necessary to avoid hardcoded version number in the setup.py file.
Please note that this import order is not pep8 compliant.
2020-04-14 09:32:25 +02:00
Sylvain Tricot 8ebfd624e1 Add support for SPRKKR potential.
This is a first version for this option. Some work has still to be
done...
2020-04-10 17:36:25 +02:00
Sylvain Tricot 4702d0cb0c Simplify code building and package creation. 2020-03-31 18:28:08 +02:00
Sylvain Tricot e2ec1e8bcd Documentation is now generated by scons 2020-03-27 17:47:50 +01:00
Sylvain Tricot 162ffa87bd Fix bugs in packaging procedure.
The version is now not hardcoded anymore in the python module. We use
setuptools_scm or pkg_resources instead.
There was also a bug in the linkage for PED with matrix inversion using
external lapack.
Finally, the install script install now requirements and all requirements
are stored in the requirements.txt file. setup.py looks inside to set its
"install_requires" keyword.
2020-03-12 16:16:28 +01:00
Sylvain Tricot c6b27aa735 Update metadata in setup.py 2020-03-02 13:49:16 +01:00
Sylvain Tricot 4807474889 Work on continuous integration
* Started port of the previous CI.bash
* Also fix bug in spec.f (stdout was closed so nothing appeared on screen
  at the second call to libspec)
* Work on test suite
  - utils to create clusters are tested
  - PED calculator for polar and azimutal scans are tested
2019-11-20 18:14:00 +01:00
Sylvain Tricot 51afffd97b Work on install script 2019-11-18 17:33:32 +01:00
Sylvain Tricot eee2516a02 Add new file hierarchy 2019-11-15 11:16:06 +01:00