8 Commits

Author	SHA1	Message	Date
Timothy Palpant	792028058b	Fix import of netcdf_file for compatibility with scipy 1.14 (#4602) ... * Fix import of netcdf_file for scipy 1.14 * Fix indentation --------- Co-authored-by: Timothy Palpant <tim@atommapper.com>	2024-07-25 12:36:37 -07:00
Sander Roet	cb293447c4	resolve scipy 1.8.0 io.netcdf deprecation warning (#3451)	2022-02-07 10:24:48 -08:00
Peter Eastman	e53bdc5eab	Top level Python module is now "openmm" (#3000) ... * Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning	2021-02-01 09:40:37 -08:00
Robert McGibbon	23143e8241	Eliminate extra warning about overriding the warning level ... Clean up Fix OpenCL platform on low-end devices Close file before deleting in TestAmberPrmtopFile.py Close PDBx file before deleting to fix windows test failure in TestPDbxFile.py Fix test checkpoint reporter close file before repoening Add bytes typemap Update appveyor.yml Fix exit status Supress 4305 and 4244 warnings Print the last failed tests output Make numpy optional in test Improve scipy skip too Refactor TestCheckpointReporter.py to not require numpy test on the proper file Remove annoying -V	2015-08-12 23:08:17 -07:00
Jason Swails	918d17ac42	Fix AmberPrmtopFile for building with IFBOX != 1 or 2. Also Add tests for a ... truncated octahedron inpcrd and prmtop file.	2015-02-11 17:27:48 -05:00
Jason Swails	7f06a313b8	Fix comparison test in TestAmberInpcrdFile to compare sequences element by ... element.	2014-05-27 15:30:35 -04:00
Jason Swails	073ea18121	The natom attribute is only part of the private objects -- this should hopefully ... fix the remaining CI issues. Also make sure .ncrst files are copied over in the test directory.	2014-05-27 15:14:18 -04:00
Jason Swails	3f090c7747	Add tests for Amber inpcrd file parsing.	2014-05-21 15:12:42 -04:00