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Add a new 'nogui' compilation target 

Makefile has a new 'nogui' target to build msspec without
any graphical user interface. Exporting data to text files
and *.png images are still possible. Useful for installing
on headless machines or if the gui is too difficult to
install (due to WxPython).
This commit is contained in:
Sylvain Tricot 2025-02-26 11:10:17 +01:00
parent 583eb08924
commit a98fd58385
2 changed files with 416 additions and 396 deletions
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4
Makefile
View File

@ -37,6 +37,10 @@ light: VENV_PATH = ./_venv
light: venv light: venv
@$(INSIDE_VENV) pip install src/ @$(INSIDE_VENV) pip install src/
nogui: VENV_PATH = ./_venv
nogui: venv pybinding
@$(INSIDE_VENV) pip install -e src/
_attrdict: _attrdict:
# Check if virtualenv python version > 3.3.0 # Check if virtualenv python version > 3.3.0

34
src/msspec/iodata.py
View File

@ -17,7 +17,7 @@
# along with this msspec. If not, see <http://www.gnu.org/licenses/>. # along with this msspec. If not, see <http://www.gnu.org/licenses/>.
# #
# Source file : src/msspec/iodata.py # Source file : src/msspec/iodata.py
# Last modified: Mon, 11 Mar 2024 09:51:47 +0100 # Last modified: Wed, 26 Feb 2025 11:10:17 +0100
# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr> # Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes.fr>
@ -79,19 +79,26 @@ import ase.io
from ase.io.extxyz import read_xyz, write_xyz from ase.io.extxyz import read_xyz, write_xyz
import h5py import h5py
import numpy as np import numpy as np
import wx.grid
from lxml import etree from lxml import etree
from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as FigureCanvas
#from matplotlib.backends.backend_wxagg import FigureCanvasWx as FigureCanvas #from matplotlib.backends.backend_wxagg import FigureCanvasWx as FigureCanvas
from matplotlib.backends.backend_agg import FigureCanvasAgg from matplotlib.backends.backend_agg import FigureCanvasAgg
from matplotlib.backends.backend_wxagg import NavigationToolbar2WxAgg #from matplotlib.backends.backend_cairo import FigureCanvasCairo as FigureCanvasAgg
from matplotlib.figure import Figure from matplotlib.figure import Figure
from terminaltables import AsciiTable from terminaltables import AsciiTable
import msspec import msspec
from msspec.msspecgui.msspec.gui.clusterviewer import ClusterViewer
from msspec.misc import LOGGER from msspec.misc import LOGGER
try:
import wx.grid
from matplotlib.backends.backend_wxagg import FigureCanvasWxAgg as FigureCanvas
from matplotlib.backends.backend_wxagg import NavigationToolbar2WxAgg
from msspec.msspecgui.msspec.gui.clusterviewer import ClusterViewer
has_gui = True
except ImportError:
LOGGER.warning('No modules for GUI')
has_gui = False
def cols2matrix(x, y, z, nx=88*1+1, ny=360*1+1): def cols2matrix(x, y, z, nx=88*1+1, ny=360*1+1):
# mix the values of existing theta and new theta and return the # mix the values of existing theta and new theta and return the
@ -796,11 +803,17 @@ class Data(object):
"""Pops up a grphical window to show all the defined views of the Data object. """Pops up a grphical window to show all the defined views of the Data object.
""" """
if has_gui:
app = wx.App(False) app = wx.App(False)
app.SetAppName('MsSpec Data Viewer') app.SetAppName('MsSpec Data Viewer')
frame = _DataWindow(self) frame = _DataWindow(self)
frame.Show(True) frame.Show(True)
app.MainLoop() app.MainLoop()
else:
print('**** INFORMATION ****')
print('You can not use the Data.view() method since ther is no')
print('graphical user interface available in this version of MsSpec.')
print("Install WxPython if you need it or use Data.export(...) method instead.")
class _DataSetView(object): class _DataSetView(object):
@ -895,7 +908,8 @@ class _DataSetView(object):
axes.set_yticks(R_ticks) axes.set_yticks(R_ticks)
axes.set_yticklabels(theta_ticks) axes.set_yticklabels(theta_ticks)
figure.colorbar(im) cbar = figure.colorbar(im)
#im.set_clim(0, 0.0275)
elif proj == 'polar': elif proj == 'polar':
values[0] = np.radians(values[0]) values[0] = np.radians(values[0])
@ -918,6 +932,7 @@ class _DataSetView(object):
axes.set_ylabel(opts['ylabel']) axes.set_ylabel(opts['ylabel'])
axes.set_xlim(*opts['xlim']) axes.set_xlim(*opts['xlim'])
axes.set_ylim(*opts['ylim']) axes.set_ylim(*opts['ylim'])
#axes.set_axis_off()
#axes.set_pickradius(5) #axes.set_pickradius(5)
if label: if label:
axes.legend() axes.legend()
@ -1008,7 +1023,8 @@ class _DataSetView(object):
s += '\tconditions : %s\n' % str(self._selection_conditions) s += '\tconditions : %s\n' % str(self._selection_conditions)
return s return s
class _GridWindow(wx.Frame): if has_gui:
class _GridWindow(wx.Frame):
def __init__(self, dset, parent=None): def __init__(self, dset, parent=None):
title = 'Data: ' + dset.title title = 'Data: ' + dset.title
wx.Frame.__init__(self, parent, title=title, size=(640, 480)) wx.Frame.__init__(self, parent, title=title, size=(640, 480))
@ -1022,7 +1038,7 @@ class _GridWindow(wx.Frame):
for iv, v in enumerate(dset[c]): for iv, v in enumerate(dset[c]):
grid.SetCellValue(iv, ic, str(v)) grid.SetCellValue(iv, ic, str(v))
class _ParametersWindow(wx.Frame): class _ParametersWindow(wx.Frame):
def __init__(self, dset, parent=None): def __init__(self, dset, parent=None):
title = 'Parameters: ' + dset.title title = 'Parameters: ' + dset.title
wx.Frame.__init__(self, parent, title=title, size=(400, 480)) wx.Frame.__init__(self, parent, title=title, size=(400, 480))
@ -1050,7 +1066,7 @@ class _ParametersWindow(wx.Frame):
tree.ExpandAll() tree.ExpandAll()
tree.SelectItem(root) tree.SelectItem(root)
class _DataWindow(wx.Frame): class _DataWindow(wx.Frame):
def __init__(self, data): def __init__(self, data):
assert isinstance(data, (Data, DataSet)) assert isinstance(data, (Data, DataSet))