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msspec_python3
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15 Commits

Author SHA1 Message Date
Sylvain Tricot 4b63973c9f Add wxPython dependency check in install program. 2020-03-02 14:57:08 +01:00
Sylvain Tricot b698eb7cfe Fix bug in install script for the gfortran version 
add "|cut -d. -f1" to keep only the major version number
 2019-11-29 15:33:45 +01:00
Sylvain Tricot 9296509f7b Work on installation script. 
Change gfortran min version to 6.0 to see if this works in Jenkins
 2019-11-29 15:27:14 +01:00
Sylvain Tricot 9d76465b11 Resolve install.sh confict with previous commit 2019-11-28 18:44:39 +01:00
Sylvain Tricot ad52398853 Merge branch 'master' of https://git.ipr.univ-rennes1.fr/epsi/msspec_python3 2019-11-28 18:43:33 +01:00
Sylvain Tricot 4eceb1bf26 Simplify the install process. 
The installation script does not try anymore to create a virtual environment.
A message at the begining recommends to the user to be in a virtual env. That way
it is possible to use virtualenv, conda, python - m venv or none of this to
create (or not) a virtual environment. It's up to the user.

The script is simpler and *should* be POSIX compliant

Files that have been modified in this commit:
- Makefile
- src/Makefile
- src/msspec/spec/fortran/Makefile
- src/msspec/phagen/fortran/Makefile
- src/install.sh
 2019-11-28 18:35:37 +01:00
Kevin Dunseath 1e67616733 Changes to src/install.sh to allow installation under Mac OSX 
In phagen_scf.f, subroutine atom_sub: changed dimensions of r_hs, rho0_hs to be assumed size arrays
 2019-11-27 16:03:49 +01:00
Sylvain Tricot 59c43395c2 Work on install script 2019-11-21 17:09:19 +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 d167bd9f75 Add a help message for options in install.sh 2019-11-19 14:07:57 +01:00
Sylvain Tricot a1fe98b7a3 Add a Jenkinsfile for continuous integration 2019-11-19 13:20:48 +01:00
Sylvain Tricot 42a327501e Work on install script 
Add support for user local install
Add support for already existing venv
 2019-11-19 00:38:08 +01:00
Sylvain Tricot 51afffd97b Work on install script 2019-11-18 17:33:32 +01:00
Sylvain Tricot a3469c53df work on packaging 2019-11-16 00:38:17 +01:00
Sylvain Tricot eee2516a02 Add new file hierarchy 2019-11-15 11:16:06 +01:00