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Enable py35 on travis
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rmcgibbo committed Oct 29, 2015
1 parent 6b5f99b commit d16656b
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Showing 2 changed files with 7 additions and 6 deletions.
3 changes: 2 additions & 1 deletion .travis.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@ install:

script:
- conda config --add channels omnia
- conda update -y conda-build
- conda build devtools/conda-recipe
- #cd devtools/c-tests/; make valgrind; cd -

Expand All @@ -28,7 +29,7 @@ env:
- python=2.7 CONDA_PY=27 CONDA_NPY=16
- python=2.7 CONDA_PY=27 CONDA_NPY=19
- python=3.4 CONDA_PY=34 CONDA_NPY=19
# python=3.5 CONDA_PY=35 CONDA_NPY=1.10
- python=3.5 CONDA_PY=35 CONDA_NPY=1.10

global:
# encrypted AWS_ACCESS_KEY_ID and AWS_SECRET_ACCESS_KEY to push documentation to S3
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10 changes: 5 additions & 5 deletions mdtraj/geometry/src/geometry.c
Original file line number Diff line number Diff line change
Expand Up @@ -80,8 +80,8 @@
* TODO: Add SSE-vectorization to the nearest neighbor search here
*/
int dist_mic_triclinic(const float* xyz, const int* pairs, const float* box_matrix,
float* distance_out, float* displacement_out, int n_frames,
int n_atoms, int n_pairs) {
float* distance_out, float* displacement_out, const int n_frames,
const int n_atoms, const int n_pairs) {
float *displacements; // We need to get these regardless
float *distances; // We need to get these regardless
int f, i, j, k, n, dist_start, disp_start, dist_idx, disp_idx;
Expand Down Expand Up @@ -190,10 +190,10 @@ static float ks_donor_acceptor(const float* xyz, const float* hcoords,
float energy;
__m128 r_n, r_h, r_c, r_o, r_ho, r_nc, r_hc, r_no, d2_honchcno;
__m128 coupling, recip_sqrt, one;
one = _mm_set1_ps(1.0);
one = _mm_set1_ps(1.0f);

/* 332 (kcal*A/mol) * 0.42 * 0.2 * (1nm / 10 A) */
coupling = _mm_setr_ps(-2.7888, -2.7888, 2.7888, 2.7888);
coupling = _mm_setr_ps(-2.7888f, -2.7888f, 2.7888f, 2.7888f);
r_n = load_float3(xyz + 3*nco_indices[3*donor]);
r_h = load_float3(hcoords + 3*donor);
r_c = load_float3(xyz + 3*nco_indices[3*acceptor + 1]);
Expand Down Expand Up @@ -329,7 +329,7 @@ int kabsch_sander(const float* xyz, const int* nco_indices, const int* ca_indice
int i, ri, rj;
static float HBOND_ENERGY_CUTOFF = -0.5;
__m128 ri_ca, rj_ca, r12;
__m128 MINIMAL_CA_DISTANCE2 = _mm_set1_ps(0.81);
__m128 MINIMAL_CA_DISTANCE2 = _mm_set1_ps(0.81f);
float* hcoords = (float*) malloc(n_residues*3 * sizeof(float));
int* skip = (int*) calloc(n_residues, sizeof(int));
if (hcoords == NULL || skip == NULL) {
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