mctools/ncrystal issues and pull requests

#227 - build issues with latest version 4.0.0 and openmc

Issue - State: open - Opened by jon-proximafusion 6 days ago - 3 comments
Labels: bug

#227 - build issues with latest version 4.0.0 and openmc

Issue - State: open - Opened by jon-proximafusion 6 days ago - 3 comments
Labels: bug

#227 - build issues with latest version 4.0.0 and openmc

Issue - State: open - Opened by jon-proximafusion 6 days ago - 3 comments
Labels: bug

#226 - Use cmake-package-check in CI

Issue - State: open - Opened by tkittel 6 days ago
Labels: deployment, tests

#226 - Use cmake-package-check in CI

Issue - State: open - Opened by tkittel 6 days ago
Labels: deployment, tests

#226 - Use cmake-package-check in CI

Issue - State: open - Opened by tkittel 6 days ago
Labels: deployment, tests

#226 - Use cmake-package-check in CI

Issue - State: open - Opened by tkittel 6 days ago
Labels: deployment, tests

#225 - Add more best practices doc files in repo

Issue - State: open - Opened by tkittel 6 days ago
Labels: documentation

#225 - Add more best practices doc files in repo

Issue - State: open - Opened by tkittel 6 days ago
Labels: documentation

#223 - Fix speed of vdosgn test

Issue - State: open - Opened by tkittel 9 days ago
Labels: tests

#222 - Final todo list for NCrystal 4.0.0

Issue - State: open - Opened by tkittel 9 days ago
Labels: fix-incoming

#222 - Final todo list for NCrystal 4.0.0

Issue - State: open - Opened by tkittel 9 days ago
Labels: fix-incoming

#221 - Update notebooks for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago
Labels: python, documentation, plugins

#221 - Update notebooks for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago
Labels: python, documentation, plugins

#220 - Auto format C++ and Python code

Issue - State: open - Opened by tkittel 9 days ago
Labels: enhancement, noturgent

#220 - Auto format C++ and Python code

Issue - State: open - Opened by tkittel 9 days ago
Labels: enhancement, noturgent

#219 - Create ncrystal-tests package

Issue - State: open - Opened by tkittel 9 days ago - 2 comments
Labels: enhancement, deployment, tests

#219 - Create ncrystal-tests package

Issue - State: open - Opened by tkittel 9 days ago - 2 comments
Labels: enhancement, deployment, tests

#218 - Help migration of plugins for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago - 1 comment
Labels: plugins

#218 - Help migration of plugins for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago - 1 comment
Labels: plugins

#217 - Update NCrystal-geant4 deployment for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago
Labels: geant4, deployment

#217 - Update NCrystal-geant4 deployment for NCrystal4

Issue - State: open - Opened by tkittel 9 days ago
Labels: geant4, deployment

#216 - Update McStas to work with NCrystal4

Issue - State: open - Opened by tkittel 9 days ago - 2 comments
Labels: mcstas, deployment, fix-incoming

#216 - Update McStas to work with NCrystal4

Issue - State: open - Opened by tkittel 9 days ago - 2 comments
Labels: mcstas, deployment, fix-incoming

#215 - CrysText plugin check

Issue - State: open - Opened by XuShuqi7 18 days ago
Labels: bug, plugins, algorithms

#214 - Update basicsim.py

Pull Request - State: closed - Opened by marquezj 24 days ago - 5 comments
Labels: openmc, tests

#211 - Link custom plugin to NCrystal in Mac (OSX-arm64)

Issue - State: closed - Opened by XuShuqi7 2 months ago - 11 comments
Labels: duplicate

#210 - Create sphinx-based website

Issue - State: open - Opened by tkittel 2 months ago - 3 comments
Labels: enhancement, documentation, data library

#208 - Add optional dependencies to pip package

Issue - State: closed - Opened by damskii9992 3 months ago - 2 comments
Labels: enhancement, python, deployment, dependencies

#207 - Request for new material : Boron Carbide

Issue - State: open - Opened by Zecolas 3 months ago - 1 comment
Labels: data library

#205 - Failing to build x86_64 libraries on Mac M3

Issue - State: closed - Opened by nviolini 3 months ago - 15 comments
Labels: feedback required, macOS

#204 - cif2ncmat should support mmcif format

Issue - State: open - Opened by tkittel 3 months ago - 1 comment
Labels: enhancement, python, data library

#202 - Make usage of matplotlib consistent and more robust throughout python API

Issue - State: open - Opened by tkittel 5 months ago - 2 comments
Labels: enhancement, python, Windows, cmdline tools

#201 - Migrate Python scripts to modules and install via entry points

Issue - State: closed - Opened by tkittel 5 months ago - 1 comment
Labels: enhancement, python, Windows

#200 - Support primary extinction (Sabine model)

Issue - State: open - Opened by tkittel 5 months ago - 1 comment
Labels: enhancement, algorithms

#199 - Rename PCBragg to PowderBragg

Issue - State: closed - Opened by tkittel 5 months ago - 1 comment
Labels: bug

#198 - Support anisotropic Uiso

Issue - State: open - Opened by tkittel 5 months ago
Labels: enhancement, algorithms

#197 - Test cross section curves w.r.t. references.

Issue - State: open - Opened by tkittel 5 months ago - 1 comment
Labels: enhancement, tests

#195 - Make conda pkgs work even if CONDA_PREFIX is not set.

Issue - State: closed - Opened by tkittel 5 months ago - 3 comments
Labels: enhancement, Windows, deployment

#195 - Make conda pkgs work even if CONDA_PREFIX is not set.

Issue - State: open - Opened by tkittel 5 months ago - 2 comments
Labels: enhancement, Windows, deployment, fix-incoming

#193 - Dynamic Plugin mechanism seems to give problems on osx

Issue - State: closed - Opened by tkittel 6 months ago - 3 comments
Labels: bug, plugins, macOS

#191 - CI of notebooks green despite failure

Issue - State: open - Opened by tkittel 6 months ago
Labels: bug, tests

#190 - CMake warning when compiling plugins in google colab

Issue - State: open - Opened by tkittel 6 months ago
Labels: bug, plugins, deployment, fix-incoming

#189 - disable building wheels for pypy, cpython 3.6 and 3.7

Pull Request - State: closed - Opened by MilanKlausz 6 months ago - 1 comment

#188 - Fix PhononDOSAnalyser

Pull Request - State: closed - Opened by marquezj 6 months ago - 1 comment

#187 - Bug in PhononDOSAnalyser

Issue - State: closed - Opened by marquezj 6 months ago - 2 comments
Labels: bug

#186 - Versioned shared libraries installed by the Python package aren't shared links, but copies of each other

Issue - State: closed - Opened by yurivict 6 months ago - 9 comments
Labels: bug, python, deployment

#185 - np.asfarray error due to numpy 2.0.0

Issue - State: closed - Opened by MilanKlausz 8 months ago - 2 comments
Labels: bug, python

#184 - endf2ncmat could use endf-parserpy

Issue - State: open - Opened by marquezj 9 months ago
Labels: enhancement, python, cmdline tools

#183 - ncmat2endf script

Issue - State: open - Opened by marquezj 9 months ago - 1 comment
Labels: enhancement, python, cmdline tools

#182 - Density bug in multiphase-materials with both density and scatter keywords

Issue - State: closed - Opened by tkittel 9 months ago - 7 comments
Labels: bug, matcfg

#181 - vdos2ncmat should have a nicer error in case of missing numpy

Issue - State: closed - Opened by tkittel 9 months ago - 1 comment
Labels: bug, cmdline tools

#179 - Maximum beta is not Emax/kT when exporting S(a,b) from Info object

Issue - State: closed - Opened by marquezj 10 months ago
Labels: noturgent, algorithms

#177 - AtomDB as an external file

Issue - State: open - Opened by marquezj 10 months ago - 7 comments
Labels: enhancement, data library, feedback required, matcfg

#176 - High energy limit should be linear combination of be the free atom cross section of isotopes

Issue - State: open - Opened by marquezj 10 months ago - 5 comments
Labels: bug, algorithms

#175 - Add optional process support for biased sampling (for focus, point detectors, etc).

Issue - State: open - Opened by tkittel 10 months ago - 2 comments
Labels: enhancement, algorithms

#174 - Provide analyseVDOS() for DI_VDOSDebye objects

Issue - State: closed - Opened by marquezj 10 months ago - 5 comments
Labels: enhancement

#173 - Add ABI complience checker

Issue - State: open - Opened by tkittel 10 months ago - 1 comment
Labels: enhancement

#172 - added importlib_metadata as build requirement

Pull Request - State: closed - Opened by MilanKlausz 10 months ago - 1 comment

#171 - PG-mode for beryllium exposes numerical integration issue

Issue - State: closed - Opened by tkittel 10 months ago - 4 comments
Labels: bug, algorithms

#170 - SAB table format description

Issue - State: closed - Opened by dddijulio 10 months ago - 9 comments
Labels: enhancement, documentation

#169 - Compile with -fno-math-errno

Issue - State: closed - Opened by tkittel 11 months ago - 3 comments
Labels: enhancement, deployment, algorithms

#168 - Create new dedicated data-library website

Issue - State: open - Opened by tkittel 12 months ago - 2 comments
Labels: enhancement

#167 - Spurious failure in some dos-expansion related unit tests

Issue - State: open - Opened by tkittel 12 months ago - 1 comment
Labels: bug, tests, macOS

#166 - manylinux_2_28 pypi pkgs missing

Issue - State: closed - Opened by tkittel 12 months ago - 9 comments
Labels: bug, deployment

#165 - cppcheck issues

Issue - State: closed - Opened by tkittel 12 months ago - 1 comment
Labels: bug

#164 - return information from hklList in a python structure

Issue - State: closed - Opened by soerenschmidts about 1 year ago - 5 comments
Labels: enhancement, python

#163 - update notebooks

Issue - State: closed - Opened by tkittel about 1 year ago - 1 comment
Labels: bug, invalid

#162 - Provide B4C and Gd2O3 for completeness.

Issue - State: open - Opened by tkittel about 1 year ago - 2 comments
Labels: enhancement

#161 - Need out of the box solutions for steel

Issue - State: open - Opened by tkittel about 1 year ago - 1 comment
Labels: enhancement

#160 - Material with large atom numbers will result in error when using the default d-spacing 0.2 Angstrom

Issue - State: closed - Opened by XuShuqi7 about 1 year ago - 7 comments
Labels: enhancement, documentation, algorithms

#159 - Need periodic systematic check against upstream databases

Issue - State: open - Opened by tkittel about 1 year ago
Labels: enhancement, noturgent

#158 - Bump actions/setup-python from 4 to 5

Pull Request - State: closed - Opened by tkittel about 1 year ago

#157 - Bump actions/setup-python from 4 to 5

Pull Request - State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies

#156 - Support dir2=auto

Issue - State: open - Opened by tkittel about 1 year ago
Labels: enhancement, matcfg

#154 - Support windows

Issue - State: closed - Opened by tkittel about 1 year ago - 2 comments
Labels: enhancement, Windows

#153 - Explicitly forbid # and $ in cfg-strings

Issue - State: closed - Opened by tkittel over 1 year ago - 2 comments
Labels: enhancement

#152 - Consider a more clean split between Python and non-Python parts of an NCrystal installation.

Issue - State: closed - Opened by tkittel over 1 year ago - 2 comments
Labels: enhancement, fix-incoming

#151 - The python extension installs the C++ library

Issue - State: closed - Opened by yurivict over 1 year ago - 11 comments
Labels: enhancement, noturgent, deployment, feedback required

#150 - Several shell scripts are installed into $PREFIX

Issue - State: closed - Opened by yurivict over 1 year ago - 5 comments
Labels: bug, deployment

#149 - Update constants for NIST/CODATA 2022

Issue - State: open - Opened by tkittel over 1 year ago - 1 comment
Labels: enhancement

#147 - Support energy-dependent atom data

Issue - State: open - Opened by tkittel over 1 year ago - 5 comments
Labels: enhancement, noturgent, algorithms

#146 - Support for intel compilers

Issue - State: closed - Opened by KBGrammer over 1 year ago - 21 comments
Labels: enhancement, deployment

#145 - Make natural abundances available

Issue - State: open - Opened by tkittel over 1 year ago
Labels: enhancement, algorithms

#143 - Bump actions/checkout from 3 to 4

Pull Request - State: closed - Opened by tkittel over 1 year ago

#142 - Bump actions/checkout from 3 to 4

Pull Request - State: closed - Opened by dependabot[bot] over 1 year ago
Labels: dependencies

#140 - conda-forge ncrystal packages should not depend on python version

Issue - State: closed - Opened by tkittel over 1 year ago - 3 comments
Labels: bug, fix-incoming

#139 - Consider CITATION.cff

Issue - State: open - Opened by tkittel over 1 year ago
Labels: enhancement, documentation

#138 - Setup systematic testing with ruff

Issue - State: closed - Opened by tkittel over 1 year ago - 1 comment
Labels: enhancement, python, tests

#135 - fix run-name bug when deploying to testpypi

Pull Request - State: closed - Opened by MilanKlausz over 1 year ago

#134 - Update documentation for new pythonic installation mechanism

Issue - State: closed - Opened by tkittel over 1 year ago - 3 comments
Labels: bug, python, documentation

#133 - add pypi workflow

Pull Request - State: closed - Opened by MilanKlausz over 1 year ago

#129 - Write ENDF format

Issue - State: open - Opened by dddijulio over 1 year ago - 12 comments
Labels: enhancement, noturgent, cmdline tools

#128 - Inconsistent structure formula loaded from CIF

Issue - State: closed - Opened by nicriz over 1 year ago - 3 comments
Labels: bug, python

#127 - Nicer structure in ncrystal_python

Issue - State: closed - Opened by tkittel almost 2 years ago - 3 comments
Labels: enhancement, python

#126 - Add setup-ncrystal.sh instead of setup.sh

Issue - State: closed - Opened by tkittel over 1 year ago - 2 comments
Labels: enhancement, deployment

#125 - gcc12 compilation issues prevent conda deployment

Issue - State: closed - Opened by tkittel almost 2 years ago - 2 comments
Labels: bug, deployment, tests

#124 - Labels and elements in NCMATComposer objects from CIF

Issue - State: open - Opened by marquezj almost 2 years ago - 1 comment
Labels: enhancement, python, documentation

#123 - Some images not rendering on datalib page for v3.6.0

Issue - State: closed - Opened by tkittel almost 2 years ago - 3 comments
Labels: bug, documentation, data library

#122 - NCrystal binary lib should not use std::cout directly when used from python

Issue - State: closed - Opened by tkittel almost 2 years ago - 3 comments
Labels: bug, enhancement, noturgent, python

GitHub / mctools/ncrystal issues and pull requests