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.