Release 1.4.0

See CHANGELOG.md for detailed release notes.

md5sum

35b69846b30ffe961a5d4b1eff7dab81  libdiffpy-1.4.0.tar.gz

The attached tarball has expanded version.hpp file.

Release 1.3.4

Changes since v1.3.3

• Do not zero F(Q) values in PDFCalculator.
• Recompute qstep in initial setup of PDFCalculator.
• Add scons variable "tool" for choosing the compiler.
• Correct DIFFPY_VERSION macro for intermediate versions.
• Make sure test program builds with our library.
• Build conda package with stock boost 1.61.0 and libobjcryst 2017.1.
• Clean up scons configuration and build process.
• Allow commas in the scons tests variable.
• Add "coverage" as scons build mode.
• Support building from git archive tarball.

md5sum

0c632ebd1fe7baa613a8655ad7200d68  libdiffpy-1.3.4.tar.gz

Release 1.3.3

Use the attached tarball, automatic archives are without the version.hpp file.

md5sum

7648f55c2ac023cd63221a956cd7e9cd  libdiffpy-1.3.3.tar.gz

Changes since v1.3.2

• Make scons sdist tarball exactly reproducible.
• Add validating evaluator PQEvaluatorCheck.
• Silence the copious boost-warnings in conda build.
• Avoid warnings on typeid expression site-effects.
• Add scons build flag test_installed.
• Fix test failures due to round-off error.
• In travis build unit tests with the installed library.
• Use OPTIMIZED evaluator by default when supported.

Release 1.3.2

Use the attached tarball, automatic archives are without the version.hpp file.

md5sum

3736f9f3f97fb0f352b1c5baabb4d7a0  libdiffpy-1.3.2.tar.gz

Changes since v1.3.1

• very minor changes to README.
• Fix NoMetaStructureAdapter::siteMultiplicity.
• Avoid ambiguity of sind, cosd, acosd with Intel C compiler.
• Add local class EmptyStructureAdapter.
• Validate if optimized evaluation is supported.
• Support custom ion valences in BVParametersTable and BVSCalculator.
• Fix invertMask and hasMask methods.
• Advance PairQuantity ticker on pair-mask change.
• Support OPTIMIZED evaluation with pair masks on.
• Preserve calculator ticker for unchanged ("all", symbol) mask.
• Skip FFT when not needed for PDF calculation.
• Add HasClassRegistry static method isRegisteredType.
• Add HasClassRegistry static method getAliasedTypes.
• Add HasClassRegistry static method deregisterType.
• Always throw when registering prototype under existing name.
• Require ObjCryst when enable_objcryst is set.
• Adjust conda recipe for conda-build 2.0.
• Bump up MACOSX_DEPLOYMENT_TARGET to 10.7 for conda.

Release 1.3.1

Use the attached tarball, automatic archives are without the version.hpp file.

md5sum

a4b2215c657f31564c156168f4255228  libdiffpy-1.3.1.tar.gz

Changes since v1.3

• Convert DIFFPY_VERSION macro to integer.
• Add macro DIFFPY_VERSION_PATCH and a libdiffpy_version_info::patch field.
• Improve the felectronatq lookup function.

Release 1.3

Use the attached tarball, automatic archives lack the generated version.hpp file.

md5sum

269d5b4315a7a26d2d93d707af26015a  libdiffpy-1.3.tar.gz

Changes since v1.2:

• Use full install_name for libdiffpy build on Mac OS X.
• Preserve settings when replacing PQEvaluator.
• Allow uneven structure sizes in SIDEBYSIDE comparison.
• Implement diff method for NoSymmetryStructureAdapter.
• Support fast-updates for BondCalculator.
• Add public method isParallel().
• Sort distances in child jobs for parallel run.
• Avoid checking mask when there is none.
• Use index array in BaseBondGenerator to choose sites.
• Implement diff method for NoMetaStructureAdapter.
• Use rmax=0 as a default bound for BondGenerator.
• Update ticker of the owner instead of owned object.
• Allow override for registerThisType().
• Register SFT also under its radiationType().
• Set default scons target to "lib" instead of "libdiffpy".
• Install headers only after libdiffpy.so compiles.
• Work around serialization headers bug in boost 1.56.
• Make features.hpp depend on the has_objcryst flag.
• Click PairQuantity ticker on global mask change.
• Click PairQuantity ticker when type mask changes.
• Add PairQuantity methods hasPairMask, hasTypeMask.
• Support OPTIMIZED evaluation for type-masking mode.
• Make alltests depend on libdiffpy.
• Do not shorten extended rcalc unless the difference is sizable.
• Add libdiffpy_version_info for runtime version data.
• Add headers required by icpc.
• Link alltests using the absolute path of libdiffpy.so.
• Redo rlimits cache when input parameters change.
• Update optimum qstep when qmax changes.
• DebyePDFCalculator::setQstep need not be virtual.
• Revert to optimum Qstep when set to that value.
• Serialize cache validity flag.
• Advance BondCalculator ticker on direction filter change.
• Update optimum qstep on maxextension change.
• Add library headers to test and alltest targets.
• Fix fast evaluation of BondCalculator.
• Use the MACOSX_DEPLOYMENT_TARGET environment variable.
• Run ldconfig after installing as a root on Linux.
• On Darwin support custom install-id for the library.
• Add conda build recipe.
• Add test for the produced conda package.
• Sync with CxxTest 4.4.
• Add scons variable "coverage" for coverage analysis.
• Include profile and coverage flags in the build directory name.
• Activate travis test builds.
• Add badge for travis build status.
• Exclude development files from source distribution.
• Pass on the LD_RUN_PATH environment variable.
• Avoid shallow git clones in travis.
• Update license year to 2016.
• Use umask to disable group-write permissions in travis.
• Clone build/gh-pages as a shared repository.
• Add micro field to the libdiffpy version.
• Add error message when building from github zip files.
• Update README with conda instructions.
• Use diffpy channel for conda build in travis.
• Include actual X.Y version in runtime path.

Release 1.2

Use the uploaded tarball or a git clone, automatic archives have no version data.

md5sum

04676fd1b012d239c3563446f407dda0  libdiffpy-1.2.tar.gz