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Fix gh cron CI (#4272)
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* Remove gsd pin from deployed package check

* temporary shim to get cron ci going

* deal with numpy alias removals

* Update CHANGELOG

* Update gh-ci-cron.yaml
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IAlibay authored Aug 31, 2023
1 parent 594dc2b commit e3354d1
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Showing 4 changed files with 6 additions and 5 deletions.
1 change: 0 additions & 1 deletion .github/workflows/gh-ci-cron.yaml
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Expand Up @@ -251,7 +251,6 @@ jobs:
with:
micromamba: true
full-deps: true
gsd: "gsd<3.0"

- name: install_mdanalysis
run: |
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2 changes: 2 additions & 0 deletions package/CHANGELOG
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Expand Up @@ -18,6 +18,8 @@ The rules for this file:
* 2.7.0

Fixes
* Deprecated np.float_ and np.NaN aliases have been replaced with
their original type value (np.float64 and np.nan) (PR #4272)

Enhancements

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6 changes: 3 additions & 3 deletions package/MDAnalysis/lib/util.py
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Expand Up @@ -1315,9 +1315,9 @@ def fixedwidth_bins(delta, xmin, xmax):
"""
if not np.all(xmin < xmax):
raise ValueError('Boundaries are not sane: should be xmin < xmax.')
_delta = np.asarray(delta, dtype=np.float_)
_xmin = np.asarray(xmin, dtype=np.float_)
_xmax = np.asarray(xmax, dtype=np.float_)
_delta = np.asarray(delta, dtype=np.float64)
_xmin = np.asarray(xmin, dtype=np.float64)
_xmax = np.asarray(xmax, dtype=np.float64)
_length = _xmax - _xmin
N = np.ceil(_length / _delta).astype(np.int_) # number of bins
dx = 0.5 * (N * _delta - _length) # add half of the excess to each end
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2 changes: 1 addition & 1 deletion testsuite/MDAnalysisTests/analysis/test_density.py
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Expand Up @@ -351,7 +351,7 @@ def test_ValueError_userdefn_xdim_nanvalue(self, universe):
with pytest.raises(ValueError, match=regex):
D = density.DensityAnalysis(
universe.select_atoms(self.selections['static']),
delta=self.delta, xdim=np.NaN, ydim=10.0, zdim=10.0,
delta=self.delta, xdim=np.nan, ydim=10.0, zdim=10.0,
gridcenter=self.gridcenters['static_defined']).run(step=5)

def test_warn_noatomgroup(self, universe):
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