Release 2017.1.1

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

md5sum

08d33a1fb654a6fec9c16ddccbbc8c72  libobjcryst-2017.1.1.tar.gz

Changes since v2015.1.2

• Make scons sdist tarball exactly reproducible.
• Add scons variable "tool" for choosing the compiler.
• BLD: use stock boost 1.61.0 for conda package.
• Add missing boost header.

Update to Fox 2017.1 - vincefn/objcryst@fae2d746d

• Optimize Le Bail extraction
• Fix xml import of ReflectionProfilePseudoVoigtAnisotropic.
• Take into account excluded regions in PowderPattern::FindPeaks.
• Avoid crash in profile fitting without any parameters.
• Avoid error if no crystal structure was found in a CIF.
• Store non-flip flag in MolAtom rather than Molecule.
• Improve scattering powers configuration when loading from CIF.
• Add Atom::SetScatteringPower.
• Add ScatteringPower::operator== and !=.
• Add Crystal::MergeEqualScatteringPowers for post-CIF import.
• Add (De)RegisterClient for an Atom and its ScatteringPower.
• Add LSQNumObj::CalcRfactor, CalcRwfactor and CalcChiSquare.
• Add LSQNumObj::SafeRefine().
• Add ScatteringData::SetFhklObsSq()
• Improve counting of observed points in profile fitting.

Sync with upstream cctbx/cctbx_project@67af93785e4c652102cc

• Add special-case handling of H3m, H3c, H-3, H-3m, H-3c space groups.
• Add attenuation coefficient data for GaAs.

Release 2015.1.2

Use the attached tarball, automatic archives miss version header file.

md5sum

988728fd30dc33dff381f8d2788aacfc  libobjcryst-2015.1.2.tar.gz

Changes since v2015.1.1

• On Darwin support custom install-id for the library.

Release 2015.1.1

Use the attached tarball, automatic archives miss version header file.

md5sum

a2b521ed1b7d12ebf7370a1ccfeee808  libobjcryst-2015.1.1.tar.gz

Changes since v2015.1

• Avoid NULL character in Crystal.CIFOutput.
• Convert LIBOBJCRYST_VERSION macro back to integer.
• Add macro LIBOBJCRYST_VERSION_PATCH.

Release 2015.1

Use the attached tarball, automatic archives miss version header file.

md5sum

0bd5b703b628dea3407d2157376ca263  libobjcryst-2015.1.tar.gz

Changes since v1.9.8:

• honor more build-related environment variables in scons.
• incorporate the upstream objcryst repository at 039e8bf.
• Sync with the upstream cctbx subversion repository at r22983.
• Define REAL as double by default.
• Remove unused cctbx sources.
• Ignore unused newmat objects.
• Add header and runtime-struct with version data.
• Add conda build recipe.
• Activate travis testing.
• Add scons target "sdist" for source tarball.
• Fix compiler warnings on Ubuntu 12, g++ 4.6.3.
• Update README with conda instructions.
• Add micro field to the libobjcryst version.
• Add error message when building from github zip files.

Release 1.9.8

Created from upstream ObjCryst subversion repository
https://svn.code.sf.net/p/objcryst/code/trunk/ObjCryst@1378.

md5sum

12e0d6ca89c1d3e92a90f2b0e3967d0a  libobjcryst-1.9.8.tar.gz