Skip to content

Commit 1f4c61f

Browse files
committed
Add announcements; update for Cinema:DS; start work on rev to installation instructions
1 parent 8e58bd3 commit 1f4c61f

File tree

3 files changed

+22
-29
lines changed

3 files changed

+22
-29
lines changed

MDhelp/docs/sequential.md

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -54,8 +54,10 @@ For a sequential Rietveld refinement, set the PWDR histograms to be used in the
5454
* **Edit equation** - to edit an equation.
5555
* **Fit to equation(s)** - do the fitting of the parametric equations to the data.
5656
* Menu '**Seq export**' –
57-
* **Project as** - only choice is as a full cif file.
58-
* **Phase as** - either a "quick" cif or a CSV file
57+
* **Project as** - choices are
58+
1. a CIF file that contains each sequential result as a separate block (with one phase) or multiple blocks, if multi-phase.
59+
2. The output files used by the [Cinema: Debye-Scherrer program](https://github.com/cinemascience/cinema_debye_scherrer?tab=readme-ov-file#cinemadebye-scherrer) from Los Alamos. This is a nice tool for visual display of parametric fits. [Install it](https://github.com/cinemascience/cinema_debye_scherrer?tab=readme-ov-file#installation) before using the export option.
60+
* **Phase as** - either a "quick" CIF or a CSV file
5961
* **Powder as** - either a powder pattern cif, a histogram CSV file or a reflection list CSV file.
6062
* **Save table as CSV** - same as Save all as CSV above.
6163

webdocs/index.rst

Lines changed: 4 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -11,15 +11,10 @@ GSAS-II Home Page
1111

1212
.. tip::
1313

14-
As of April 22, 2025, the default branch for GSAS-II has been
15-
changed from ``master`` to a branch called ``main``. If the
16-
gsas2full self-installer was used for GSAS-II use of the
17-
Help/Update process should make the transition from the ``master``
18-
to the new ``main`` version. Other types of installations will
19-
likely require that GSAS-II be reinstalled (as described
20-
below). Details about what has been changed in this transition can
21-
be found in the :ref:`section on this transition <master2main>`,
22-
also below.
14+
A new section in the GSAS-II web documentation,
15+
`Announcements in "GitHub Discussions" <https://github.com/AdvancedPhotonSource/GSAS-II/discussions/categories/announcements>`_
16+
is now in use as a source of information on new capabilities added to
17+
GSAS-II.
2318

2419
Welcome to the home page for GSAS-II, a unique and comprehensive open
2520
source Python project for determination of crystal structures and

webdocs/install_dev.rst

Lines changed: 14 additions & 18 deletions
Original file line numberDiff line numberDiff line change
@@ -11,11 +11,7 @@
1111
Installing GSAS-II for code development
1212
==============================================
1313

14-
.. tip::
15-
16-
At the time this is being updated (April 22, 2025), the default branch for GSAS-II has been changed from ``master`` to a branch called ``main``. Development tasks should be made on the ``main`` branch rather than ``master``, but if changes are made to ``master`` they can be merged into ``main`` on a case-by-case basis if requested.
17-
18-
While bug fixes are sometimes applied directly to the ``main`` branch (and previously the ``master`` branch). The better way to make changes to GSAS-II is to make a private copy of the ``main`` branch on GitHub; this private copy is called a "fork." When you have a working version with the changes or additions that you want to make, you then issue an invitation to have your changes incorporated into the ``main`` branch. That invitation is called a "pull request" on GitHub, as you wish to have your changes pulled into the central GSAS-II version. You are very much encouraged to try your hand at working on improvements and fixes to GSAS-II.
14+
While the main developers (Bob and Brian) do most of their work by applying changes directly to the ``main`` branch of GSAS-II. The better way to make changes to GSAS-II is to make a private copy of the ``main`` branch on GitHub; this private copy is called a "fork." When you have a working version with the changes or additions that you want to make, you then issue an invitation to have your changes incorporated into the ``main`` branch. That invitation is called a "pull request" on GitHub, as you wish to have your changes pulled into the central GSAS-II version. You are very much encouraged to try your hand at working on improvements and fixes to GSAS-II.
1915

2016
This documentation section describes the steps needed to "fork a copy" of the GSAS-II repository in your own GitHub account. This means you will establish a private copy of GSAS-II. When you have reached a good point to share what you have done, and provide a "pull request" it allows the GSAS-II developers access to your working version so that the changes can be considered and potentially included into the main distribution.
2117

@@ -144,20 +140,24 @@ The code in the ``main`` includes setup files for `Pixi <https://pixi.sh>`_, whi
144140
It is particularly convenient for GSAS-II software development.
145141
There are many ways to install Pixi, as listed `here <https://pixi.sh>`_, or by using the ``conda install pixi`` command, or homebrew, etc.
146142

147-
Once pixi is installed, it can be used to setup and run GSAS-II, with commands as described below. These commands should be run from the ``<G2>/GSASII/pixi`` directory:
143+
Once pixi is installed, it can be used to setup and run GSAS-II, with commands as described below. These commands download GSAS-II from GitHub, install it, including compiling the files locally, then runs the self-tests and then finally starts the GSAS-II GUI:
148144

149-
Linux/MacOS::
150-
151-
cd <...>/GSASII/pixi
145+
cd <install-location>
146+
git clone --depth 1 [email protected]:AdvancedPhotonSource/GSAS-II.git
147+
cd GSAS-II/pixi
148+
pixi run install
149+
pixi run test
150+
pixi run ui
152151

153-
Windows::
152+
The pixi program makes all this very easy. Developers will likely want to clone from their own fork of the repo (see above) and may want to use variants on these commands, such as add `--no-single-branch` so that all branches are available and/or change the `--depth` value or even omit that option. (Any of these increase the download time significantly.)
153+
Also note the `install-editable` or `install-editable-win` options below. This allows that git-installed code is used to run GSAS-II rather than copies. With this "`editable" option you can make changes to GSAS-II and then restart it and see the impact of your changes immediately [with a bit of tampering, sometimes one can use `importlib.reload()` and see changes as soon as they are saved]. If the normal install process is used, the changes will be seen only after repeating the `pixi run install` step.
154154

155-
cd <...>\GSASII\pixi
156-
157155
---------------------------------------------------
158-
GSAS-II installation via pixi
156+
GSAS-II pixi commands
159157
---------------------------------------------------
160158

159+
Details on commonly-used commands with pixi follow:
160+
161161
``pixi run install``
162162

163163
This will install GSAS-II into the ``pixi/.pixi`` directory where it will be
@@ -174,10 +174,6 @@ GSAS-II installation via pixi
174174
be used to upload changes to GitHub. Note the slightly different version of
175175
this command for Windows.
176176

177-
---------------------------------------------------
178-
Commonly-used pixi commands
179-
---------------------------------------------------
180-
181177
After one of the above install commands is used, the following commands can be used:
182178

183179
``pixi run test``
@@ -187,7 +183,7 @@ After one of the above install commands is used, the following commands can be u
187183

188184
``pixi run ui``
189185

190-
Runs the GSAS-II GUI.
186+
Starts the GSAS-II GUI.
191187

192188
``pixi run python``
193189

0 commit comments

Comments
 (0)