RE #37934

Provide steps to configure CLion without needing to activate the conda environment from the terminal. This helps when working on Mantid and other projects simultaneously in CLion.

Signed-off-by: Jose Borreguero <[email protected]>

for more information, see https://pre-commit.ci

This isotope currently gives a NaN cross-section. We should ensure
that unsupported isotopes give a noisy error instead.

- remove "substitution" logic branch
- instead delegate isotope detection and workspace naming to a new class
- in this commit a new Atom is still (unnecessarily) spawned to get cross-section

We can now pass on the AtomInfo object rather than its consitituent data.

In cases such as F, one isotope is so dominant that essentially we
would always use the properties of the standard mixture. Oddly, in
this case Mantid will not find neutron data if the atomic mass was
provided.

i.e. Atom('F').neutron() works, but Atom('F', 19).neutron() returns a
dict full of NaN, despite them having exactly the same mass.

Abins input files usually give the element symbol and mass. These
masses often do not match exactly to those in Mantid's data.

- In the case that the nearest isotope has no data, but the "mixture"
  is _quite_ near the target mass (0.01 amu, for now), log a warning and
  use the mixture.

  This helps handle nasty cases like 127I where Mantid has _slightly_
  different masses for the pure isotope and mixture, but essentially
  it is a 100% mixture and there is no neutron-scattering data for the
  isolated isotope.

- If the nearest isotope has no data and the standard mixture is too
  far away, raise an error.

The error is now raised by the data class when we try to access a
property that uses Atom.

As such it is not really a get_cross_section test any more and can be
moved out.

…_mode_ws_name

Correct typo in default trans workspace name in pearl powder script

…eveloper-docs

Updated mac server address in dev docs

Co-authored-by: Adri Diaz <[email protected]>

Convert Quasi tab to MVP

* Added check to match bins before conjoining

* Added the optional boolean argument to ConjoinWorkspaces

* Fixed some of the failing python interface tests

* Updated the documentation for ConjoinWorkspaces

* Fixed the qt tests

* Fixed tests for RunDescriptor.py

* Fixed the conjoin workspaces c++  tests

* Added a new test to verify error msg when bins don't match

* Updated some files to fix system test failures

* Updated SANSDarkRunSubtractionTest.py

* Updated isis_reduction_steps.py

* Fixed the doc tests

* Updated Workspaces::matchingBins to accept shared_ptr

* Added release note

* Updated the release note to include algorithm link

* Updated docs and release note

Co-authored-by: Caila Finn <[email protected]>

---------

Co-authored-by: Caila Finn <[email protected]>

…try_point

Add mantidworkbench as an entry point for the mantidworkbench Conda package

This gets rid of a hard-coded epsilon. Strictly these two comparisons
are not quite doing the same thing, but this precision should be good
for both.

Failures on PRs suggest that v1.15.0 of scipy may be causing problems for Abins Powder Calculator

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Thomas Hampson <[email protected]>

Add arg passing to workbench launch wrapper script

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Thomas Hampson <[email protected]>

Add release notes

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Thomas Hampson <[email protected]>

Update launch script name in linux standalone packaging script

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Jonathan Haigh <[email protected]>

Change python exec command to avoid infinite loop when launching on Linux

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Jonathan Haigh <[email protected]>

Fix name of mantid launch script in standalone package script

Co-authored-by: James Clarke <[email protected]>
Co-authored-by: Jonathan Haigh <[email protected]>

[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

Move release notes to 6.12 folder

Add return code handling

Rename workbench_launch_wrapper to mantidworkbench_launch_wrapper

Rename standalone launcher script

Renamed from workbench_launcher_jemalloc to launch_mantidworkbench

Pass command-line arguments through to main

Co-authored-by: Pete Peterson <[email protected]>

Add optional argument to workbench main() and launch()

Then someone can pass in arguments directly instead of using
sys.argv. If no arguments are given then sys.argv gets used
by default.

Co-authored-by: Thomas Hampson <[email protected]>

add backticks to release notes

Co-authored-by: Caila Finn <[email protected]>

…L_Next

Plot Marker Workspaces

…ntry_point_ornlnext

Add mantidworkbench as an entry point for the mantidworkbench Conda package - ornl-next

Failures on PRs suggest that v1.15.0 of scipy may be causing problems for Abins Powder Calculator

Pin scipy to less than v1.15.0

Pin scipy to less than v1.15.0 - ornl-next

…install_paths

Set cmake policy CMP0177 to new

Abins: improve handling of isotopic cross-sections

…agged

Add support for histogram ragged workspaces with density=true

Pull nexus library into mantid