AdvancedPhotonSource / GSAS-II

Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
Other
33 stars 14 forks source link

Revisit PDFfit2 installation #60

Closed briantoby closed 1 month ago

briantoby commented 3 months ago

PDFfit2 is now available for Python 3.12 and can be installed via conda. The installation process needs to be reworked.

briantoby commented 3 months ago

This has been cleaned up in GSAS-II, but the resulting code does not work because there is a problem that prevents use of the new PDFfit2 package: https://github.com/diffpy/diffpy.pdffit2/issues/68.

Created a new branch to put this aside until the issue above is fixed.

briantoby commented 1 month ago

Revisited and install of latest PDFfit2 works (tested w/Intel version on Mac) except for ARM Mac, where PDFfit2 is not yet available via conda. Should work there too when available.